Geometry & MOs

Info

ID:	183141
PubChem CID:	76983720
Reduced:	ClNOC7H7 (2)
Stoich.:	ABCD7E7 (2)
Weight, g/mol:	278.082205
ΔH_f, kcal/mol:	-67.19
Dipole, Da:	2.0
IP(EA), eV:	-9.71(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-chlorophenyl)prop-2-enoyl]-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)C=CC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations