Geometry & MOs

Info

ID:	420806
PubChem CID:	135114862
Reduced:	ON4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	320.129156
ΔH_f, kcal/mol:	0.81
Dipole, Da:	1.77
IP(EA), eV:	-9.3(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-(2-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)C)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations