Geometry & MOs

Info

ID:	232423
PubChem CID:	87576158
Reduced:	O3H4C5 (1)
Stoich.:	A3B4C5 (1)
Weight, g/mol:	373.179027
ΔH_f, kcal/mol:	-64.41
Dipole, Da:	5.09
IP(EA), eV:	-11.18(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1Z)-1-(5-benzyl-4,5-dimethyl-3,6-dioxopiperazin-2-ylidene)ethyl]-5-methylbenzonitrile

Drug info:

PubChemData

Smile

CC(=O)OC(=O)C#C

DOS

IR

Vibrations