Geometry & MOs

Info

ID:	338444
PubChem CID:	127259136
Reduced:	NO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	248.068473
ΔH_f, kcal/mol:	-87.2
Dipole, Da:	2.93
IP(EA), eV:	-8.57(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-2-oxochromen-7-yl)oxymethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC=NC1=CC=C(C=C1)OC

DOS

IR

Vibrations