Geometry & MOs

Info

ID:	10381
PubChem CID:	101371
Reduced:	O3C18H20 (1)
Stoich.:	A3B18C20 (1)
Weight, g/mol:	284.141245
ΔH_f, kcal/mol:	-95.54
Dipole, Da:	2.92
IP(EA), eV:	-8.95(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-bis(4-hydroxyphenyl)hexan-3-one

Drug info:

PubChemData

Smile

CCC(=O)C(CC)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

DOS

IR

Vibrations