Geometry & MOs

Info

ID:	68430
PubChem CID:	46508393
Reduced:	ClON6C22H25 (1)
Stoich.:	ABC6D22E25 (1)
Weight, g/mol:	446.192961
ΔH_f, kcal/mol:	57.12
Dipole, Da:	1.66
IP(EA), eV:	-8.9(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)CC4=CC=CC=C4

DOS

IR

Vibrations