Geometry & MOs

Info

ID:	158290
PubChem CID:	56463306
Reduced:	ClO3N5C21H24 (1)
Stoich.:	AB3C5D21E24 (1)
Weight, g/mol:	420.252526
ΔH_f, kcal/mol:	-68.75
Dipole, Da:	9.01
IP(EA), eV:	-8.91(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-oxopyrrolidin-1-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CCC(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

DOS

IR

Vibrations