Geometry & MOs

Info

ID:	412569
PubChem CID:	135085466
Reduced:	OSC11H12 (1)
Stoich.:	ABC11D12 (1)
Weight, g/mol:	237.076534
ΔH_f, kcal/mol:	30.01
Dipole, Da:	3.27
IP(EA), eV:	-8.08(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-phenyl-3-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C#CSC

DOS

IR

Vibrations