Geometry & MOs

Info

ID:	156885
PubChem CID:	56394831
Reduced:	O2N6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	497.279075
ΔH_f, kcal/mol:	6.63
Dipole, Da:	2.97
IP(EA), eV:	-8.78(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylphenyl)-5-oxo-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C=CC(=N1)C(=O)NC2=CC=CC=C2N3CCN(CC3)CCC4=CC=NC=C4

DOS

IR

Vibrations