Geometry & MOs

Info

ID:	225380
PubChem CID:	85756547
Reduced:	O4H20C23 (1)
Stoich.:	A4B20C23 (1)
Weight, g/mol:	218.094294
ΔH_f, kcal/mol:	-61.66
Dipole, Da:	7.76
IP(EA), eV:	-8.79(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,6-dihydroxy-2-methylphenyl)hexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1OC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C=O

DOS

IR

Vibrations