Geometry & MOs

Info

ID:	405852
PubChem CID:	135075725
Reduced:	ON3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	335.07461
ΔH_f, kcal/mol:	1.19
Dipole, Da:	5.09
IP(EA), eV:	-9.67(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4aS,5S,7S,8aR)-5-(iodomethyl)-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC=C(N1C)C(=O)CCCC#N

DOS

IR

Vibrations