Geometry & MOs

Info

ID:	305025
PubChem CID:	124766439
Reduced:	FN2O2H21C24 (1)
Stoich.:	AB2C2D21E24 (1)
Weight, g/mol:	388.158706
ΔH_f, kcal/mol:	25.29
Dipole, Da:	9.05
IP(EA), eV:	-8.71(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,7R,13S,17R)-2-(4-fluorophenyl)-10-nitro-1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8,10,12(19),14-pentaene

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1C=C[C@@H]2[C@@H]1CN3[C@H]([C@H]4CC=C[C@H]4C5=CC(=CC2=C53)[N+](=O)[O-])C6=CC=C(C=C6)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1C=C[C@@H]2[C@@H]1CN3[C@H]([C@H]4CC=C[C@H]4C5=CC(=CC2=C53)[N+](=O)[O-])C6=CC=C(C=C6)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):