Geometry & MOs

Info

ID:	9988
PubChem CID:	95884
Reduced:	NO4H9C13 (1)
Stoich.:	AB4C9D13 (1)
Weight, g/mol:	243.053158
ΔH_f, kcal/mol:	-29.32
Dipole, Da:	3.98
IP(EA), eV:	-9.7(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-nitrobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations