Geometry & MOs

Info

ID:	20959
PubChem CID:	586394
Reduced:	O3C16H16 (1)
Stoich.:	A3B16C16 (1)
Weight, g/mol:	256.109944
ΔH_f, kcal/mol:	-93.86
Dipole, Da:	5.29
IP(EA), eV:	-9.31(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dihydroxyphenyl)-4-phenylbutan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations