Geometry & MOs

Info

ID:	5514
PubChem CID:	13261
Reduced:	NO4C10H11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	209.068808
ΔH_f, kcal/mol:	-83.14
Dipole, Da:	3.47
IP(EA), eV:	-10.31(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-nitrophenyl)ethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCC1=CC=CC=C1[N+](=O)[O-]

DOS

IR

Vibrations