Geometry & MOs

Info

ID:	448492
PubChem CID:	135291342
Reduced:	NF3C11H14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	217.107834
ΔH_f, kcal/mol:	-155.06
Dipole, Da:	2.67
IP(EA), eV:	-9.94(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-5-methyl-4-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)C(C)(C)C)C(F)(F)F

DOS

IR

Vibrations