Geometry & MOs

Info

ID:	287830
PubChem CID:	104295862
Reduced:	OF2N2C15H16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	281.078283
ΔH_f, kcal/mol:	-97.09
Dipole, Da:	5.18
IP(EA), eV:	-9.63(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-chloro-1-(2,4-difluoro-5-methylphenyl)propan-2-yl]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)C(C(CN)C2=CN=CC=C2)O

DOS

IR

Vibrations