Geometry & MOs

Info

ID:	380588
PubChem CID:	134971076
Reduced:	NOC11H13 (2)
Stoich.:	ABC11D13 (2)
Weight, g/mol:	366.11944
ΔH_f, kcal/mol:	-27.95
Dipole, Da:	2.32
IP(EA), eV:	-7.96(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aS,4R,7S,7aS)-7-bromo-4,7a-dimethyl-3-(phenylmethoxymethyl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ol

Drug info:

PubChemData

Smile

CCC1=CN(CC=C1)CCC2=C(NC3=CC=CC=C32)C(=C)C(=O)OCC

DOS

IR

Vibrations