Geometry & MOs

Info

ID:	6441
PubChem CID:	68623
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	299.152144
ΔH_f, kcal/mol:	-80.15
Dipole, Da:	1.28
IP(EA), eV:	-8.34(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,4aR,7S,7aR,12bS)-9-ethoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol

Drug info:

PubChemData

Smile

CCOC1=C2C3=C(C[C@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)[C@H](C=C5)O)C=C1

DOS

IR

Vibrations