Geometry & MOs

Info

ID:	338451
PubChem CID:	127259143
Reduced:	NSO4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	235.059306
ΔH_f, kcal/mol:	-93.02
Dipole, Da:	3.89
IP(EA), eV:	-9.56(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-1,2,3-benzotriazin-3-yl)oxymethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC(C)(C)SC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations