Geometry & MOs

Info

ID:	232282
PubChem CID:	87575876
Reduced:	NO2F3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	395.144533
ΔH_f, kcal/mol:	-212.68
Dipole, Da:	4.67
IP(EA), eV:	-9.49(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1Z)-1-[5-[(3,5-difluorophenyl)methyl]-4,5-dimethyl-3,6-dioxopiperazin-2-ylidene]ethyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)CC(F)(F)F)C=O

DOS

IR

Vibrations