Geometry & MOs

Info

ID:	338395
PubChem CID:	127259087
Reduced:	NBr2O3H7C9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	246.052823
ΔH_f, kcal/mol:	-100.24
Dipole, Da:	6.27
IP(EA), eV:	-9.41(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dioxonaphthalen-1-yl)oxymethyl acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations