Geometry & MOs

Info

ID:	7165
PubChem CID:	71441
Reduced:	ClON2C18H25 (1)
Stoich.:	ABC2D18E25 (1)
Weight, g/mol:	320.165541
ΔH_f, kcal/mol:	-52.94
Dipole, Da:	2.83
IP(EA), eV:	-8.57(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-N-(2-chloro-6-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)NC(=O)CCN2CCC[C@@H]3[C@@H]2CCC3

DOS

IR

Vibrations