Geometry & MOs

Info

ID:	5502
PubChem CID:	13243
Reduced:	NO4H7C8 (1)
Stoich.:	AB4C7D8 (1)
Weight, g/mol:	181.037508
ΔH_f, kcal/mol:	-70.29
Dipole, Da:	7.33
IP(EA), eV:	-10.23(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations