Geometry & MOs

Info

ID:	197845
PubChem CID:	79006320
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	259.193614
ΔH_f, kcal/mol:	-116.18
Dipole, Da:	1.97
IP(EA), eV:	-8.67(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-methylphenyl)ethanol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN(CC(=O)OC)C2CCCC2

DOS

IR

Vibrations