Geometry & MOs

Info

ID:	62684
PubChem CID:	26736143
Reduced:	NO3H13C21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	268.048407
ΔH_f, kcal/mol:	1.42
Dipole, Da:	2.32
IP(EA), eV:	-9.87(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyanophenyl) 2-nitrobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C#N

DOS

IR

Vibrations