Geometry & MOs

Info

ID:	51556
PubChem CID:	12014247
Reduced:	BrNO2C8H12 (1)
Stoich.:	ABC2D8E12 (1)
Weight, g/mol:	251.034921
ΔH_f, kcal/mol:	-46.67
Dipole, Da:	1.41
IP(EA), eV:	-10.16(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-8-(2-chloroacetyl)-4-methylchromen-2-one

Drug info:

PubChemData

Smile

C1C(CO1)(COCCC#N)CBr

DOS

IR

Vibrations