Geometry & MOs

Info

ID:	84360
PubChem CID:	49865989
Reduced:	FO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	318.143136
ΔH_f, kcal/mol:	-111.61
Dipole, Da:	2.89
IP(EA), eV:	-9.65(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,4-difluorophenyl)-2-methylphenyl]-6-hydroxyhexan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C2=CC=C(C=C2)C(=O)CCCCCO

DOS

IR

Vibrations