Geometry & MOs

Info

ID:	305027
PubChem CID:	124766441
Reduced:	FN2O2H21C24 (1)
Stoich.:	AB2C2D21E24 (1)
Weight, g/mol:	253.01023
ΔH_f, kcal/mol:	20.06
Dipole, Da:	8.75
IP(EA), eV:	-8.74(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-N-[(1S,2S,3S,5S,6S,8R,9R,10S)-6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene]hydroxylamine

Drug info:

PubChemData

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