Geometry & MOs

Info

ID:	246169
PubChem CID:	103047810
Reduced:	ClOF2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	286.149971
ΔH_f, kcal/mol:	-125.65
Dipole, Da:	1.35
IP(EA), eV:	-9.58(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-chloro-2-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)F)(CC2=C(C=CC(=C2)Cl)F)O

DOS

IR

Vibrations