Geometry & MOs

Info

ID:	11775
PubChem CID:	120893
Reduced:	BrNO3C20H24 (1)
Stoich.:	ABC3D20E24 (1)
Weight, g/mol:	405.09396
ΔH_f, kcal/mol:	-15.05
Dipole, Da:	2.34
IP(EA), eV:	-8.44(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,4aR,7S,7aR,12bS)-9-methoxy-3-prop-2-enyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrobromide

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

COC1=C2C3=C(C[C@H]4[C@H]5[C@]3(CCN4CC=C)[C@@H](O2)[C@H](C=C5)O)C=C1.Br

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

COC1=C2C3=C(C[C@H]4[C@H]5[C@]3(CCN4CC=C)[C@@H](O2)[C@H](C=C5)O)C=C1.Br

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):