Geometry & MOs

Info

ID:	382214
PubChem CID:	134973213
Reduced:	BrO4H13C17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	329.98916
ΔH_f, kcal/mol:	-95.01
Dipole, Da:	3.92
IP(EA), eV:	-9.2(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-bromophenyl)methoxy]chromen-2-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)COC2=CC3=C(C=C2)C=CC(=O)O3

DOS

IR

Vibrations