Geometry & MOs

Info

ID:	152026
PubChem CID:	56310874
Reduced:	O3N4C27H34 (1)
Stoich.:	A3B4C27D34 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	-95.75
Dipole, Da:	5.19
IP(EA), eV:	-8.94(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations