Geometry & MOs

Info

ID:	375573
PubChem CID:	134213996
Reduced:	NO6C42H85 (1)
Stoich.:	AB6C42D85 (1)
Weight, g/mol:	439.104069
ΔH_f, kcal/mol:	-433.03
Dipole, Da:	2.12
IP(EA), eV:	-9.74(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4-[5-ethyl-2-(trifluoromethylsulfonyl)phenyl]-5-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCOC[C@H](COC(=O)NCCC(C)(C)OCC(C)(C)OC)OCCCCCCCCCCCCCC

DOS

IR

Vibrations