Geometry & MOs

Info

ID:	84909
PubChem CID:	49870631
Reduced:	FNO2C36H55 (1)
Stoich.:	ABC2D36E55 (1)
Weight, g/mol:	443.10961
ΔH_f, kcal/mol:	-155.55
Dipole, Da:	2.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.203100
Charge, e:	0

Chem-info

IUPAC name:

(13aS)-3,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine;hydrobromide

Drug info:

PubChemData

Smile

CCCCCCCCCCCC1=[N+](CCC2=C1C=CC(=C2OCCCCCCCC)OC)CC3=CC=CC=C3F

DOS

IR

Vibrations