Geometry & MOs

Info

ID:	69537
PubChem CID:	47193714
Reduced:	ClOSN2C14H15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	267.077454
ΔH_f, kcal/mol:	-9.35
Dipole, Da:	1.62
IP(EA), eV:	-8.72(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-methylphenyl)-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)N(C)CC2=CC=CS2)Cl

DOS

IR

Vibrations