Geometry & MOs

Info

ID:	128429
PubChem CID:	51043445
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	-132.27
Dipole, Da:	5.07
IP(EA), eV:	-9.63(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-acetylanilino)-2-oxoethyl]-4-benzylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC(=O)O)CNC(=O)CN2C(=O)C=CC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations