Geometry & MOs

Info

ID:	216226
PubChem CID:	85085920
Reduced:	NOC16H21 (1)
Stoich.:	ABC16D21 (1)
Weight, g/mol:	243.162314
ΔH_f, kcal/mol:	-33.43
Dipole, Da:	3.57
IP(EA), eV:	-9.41(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzyl-2,3,3a,6,7,7a-hexahydroindol-3-yl)methanol

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)C=CC2=CC=CC=C2

DOS

IR

Vibrations