Geometry & MOs

Info

ID:	197
PubChem CID:	2278
Reduced:	NO6H11C14 (1)
Stoich.:	AB6C11D14 (1)
Weight, g/mol:	289.058637
ΔH_f, kcal/mol:	-102.52
Dipole, Da:	5.78
IP(EA), eV:	-9.44(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(nitrooxymethyl)phenyl] 2-hydroxybenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations