Geometry & MOs

Info

ID:	20384
PubChem CID:	583653
Reduced:	NO5H9C14 (1)
Stoich.:	AB5C9D14 (1)
Weight, g/mol:	271.048072
ΔH_f, kcal/mol:	-57.97
Dipole, Da:	6.47
IP(EA), eV:	-10.32(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) 4-formylbenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=O)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations