Geometry & MOs

Info

ID:	402875
PubChem CID:	135057622
Reduced:	NO2H15C17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	311.105862
ΔH_f, kcal/mol:	1.93
Dipole, Da:	4.98
IP(EA), eV:	-8.83(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-phenyldiazenylbenzoyl)benzonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CC(=O)N2OC)C3=CC=CC=C3

DOS

IR

Vibrations