Geometry & MOs

Info

ID:	4821
PubChem CID:	12094
Reduced:	NO4C9H9 (1)
Stoich.:	AB4C9D9 (1)
Weight, g/mol:	195.053158
ΔH_f, kcal/mol:	-77.26
Dipole, Da:	6.15
IP(EA), eV:	-10.61(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations