Geometry & MOs

Info

ID:	4703
PubChem CID:	11890
Reduced:	NO4H7C8 (1)
Stoich.:	AB4C7D8 (1)
Weight, g/mol:	181.037508
ΔH_f, kcal/mol:	-66.38
Dipole, Da:	3.27
IP(EA), eV:	-10.08(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-nitrophenyl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC=C1[N+](=O)[O-]

DOS

IR

Vibrations