Geometry & MOs

Info

ID:	158127
PubChem CID:	56463029
Reduced:	O3N4C26H32 (1)
Stoich.:	A3B4C26D32 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-100.2
Dipole, Da:	1.04
IP(EA), eV:	-8.83(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-2-phenyl-2-pyrrolidin-1-ylacetamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=C(C=C3)N4CCNC(=O)C4

DOS

IR

Vibrations