Geometry & MOs

Info

ID:	424310
PubChem CID:	135122161
Reduced:	ClINOC8H11 (1)
Stoich.:	ABCDE8F11 (1)
Weight, g/mol:	290.039065
ΔH_f, kcal/mol:	-40.0
Dipole, Da:	4.47
IP(EA), eV:	-9.21(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-difluorophenyl)-7,8-dihydroxychromen-2-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CN)I.Cl

DOS

IR

Vibrations