Geometry & MOs

Info

ID:	246162
PubChem CID:	103047639
Reduced:	ClFO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	292.103021
ΔH_f, kcal/mol:	-142.34
Dipole, Da:	2.3
IP(EA), eV:	-9.64(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-fluorophenyl)-2-(3,5-dimethylphenyl)propan-2-ol

Drug info:

PubChemData

Smile

CCC(CC1=C(C=CC(=C1)Cl)F)(COC)O

DOS

IR

Vibrations