Geometry & MOs

Info

ID:	338392
PubChem CID:	127259084
Reduced:	NSO6C9H9 (1)
Stoich.:	ABC6D9E9 (1)
Weight, g/mol:	310.084124
ΔH_f, kcal/mol:	-139.59
Dipole, Da:	8.97
IP(EA), eV:	-11.01(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-4-phenylchromen-7-yl)oxymethyl acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations