Geometry & MOs

Info

ID:	347566
PubChem CID:	127272421
Reduced:	ON2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	340.226312
ΔH_f, kcal/mol:	-96.42
Dipole, Da:	3.65
IP(EA), eV:	-8.41(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-anilinopyrrolidin-1-yl)-N-(1-cyanocyclohexyl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NC1CCCCC1)N2CCC(C2)NC3=CC=CC=C3

DOS

IR

Vibrations