Geometry & MOs

Info

ID:	246189
PubChem CID:	103048134
Reduced:	BrClFNOH8C13 (1)
Stoich.:	ABCDEF8G13 (1)
Weight, g/mol:	294.082286
ΔH_f, kcal/mol:	-30.92
Dipole, Da:	2.46
IP(EA), eV:	-9.74(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)CC(=O)C2=NC=C(C=C2)Br)F

DOS

IR

Vibrations