Geometry & MOs

Info

ID:	204976
PubChem CID:	80039014
Reduced:	BrO2N4H9C12 (1)
Stoich.:	AB2C4D9E12 (1)
Weight, g/mol:	260.054555
ΔH_f, kcal/mol:	92.34
Dipole, Da:	7.32
IP(EA), eV:	-9.61(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dioxopiperazin-1-yl)-2-nitrobenzonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC(=C(C=C2)C#N)[N+](=O)[O-])C)Br

DOS

IR

Vibrations