Geometry & MOs

Info

ID:	31776
PubChem CID:	3718053
Reduced:	O2N4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	257.080041
ΔH_f, kcal/mol:	30.03
Dipole, Da:	1.95
IP(EA), eV:	-8.41(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-nitrophenyl)benzohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)NN=CC2=CC=C(C=C2)OC)C#N)COC

DOS

IR

Vibrations