Geometry & MOs

Info

ID:	345411
PubChem CID:	127269711
Reduced:	N4O4C19H26 (1)
Stoich.:	A4B4C19D26 (1)
Weight, g/mol:	379.156577
ΔH_f, kcal/mol:	-161.38
Dipole, Da:	3.0
IP(EA), eV:	-9.4(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)NC(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)O

DOS

IR

Vibrations