Geometry & MOs

Info

ID:	299
PubChem CID:	2535
Reduced:	O5H14C16 (1)
Stoich.:	A5B14C16 (1)
Weight, g/mol:	286.084124
ΔH_f, kcal/mol:	-145.04
Dipole, Da:	3.17
IP(EA), eV:	-8.74(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydroxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)O)O)O

DOS

IR

Vibrations