Geometry & MOs

Info

ID:	317510
PubChem CID:	126640100
Reduced:	NC24H47 (1)
Stoich.:	AB24C47 (1)
Weight, g/mol:	354.171911
ΔH_f, kcal/mol:	-91.41
Dipole, Da:	1.32
IP(EA), eV:	-8.7(3.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-3-fluoro-4-[2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]propyl]pyridine

Drug info:

PubChemData

Smile

C1CCCCCCC(CCCCC1)NC2CCCCCCCCCC2

DOS

IR

Vibrations