Geometry & MOs

Info

ID:	338564
PubChem CID:	127259575
Reduced:	ISN4C9H9 (1)
Stoich.:	ABC4D9E9 (1)
Weight, g/mol:	288.099774
ΔH_f, kcal/mol:	105.95
Dipole, Da:	7.73
IP(EA), eV:	-9.06(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-1-phenylethanone

Drug info:

PubChemData

Smile

C1CN(/C(=C/C#N)/N1)CC2=CN=C(S2)I

DOS

IR

Vibrations