Geometry & MOs

Info

ID:	394862
PubChem CID:	135024002
Reduced:	BrNO2C10H18 (1)
Stoich.:	ABC2D10E18 (1)
Weight, g/mol:	280.073559
ΔH_f, kcal/mol:	-34.35
Dipole, Da:	3.77
IP(EA), eV:	-10.61(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzoyl-5-methoxychromen-2-one

Drug info:

PubChemData

Smile

C(CCCCBr)CCC/C=C/[N+](=O)[O-]

DOS

IR

Vibrations