Geometry & MOs

Info

ID:	435907
PubChem CID:	135192738
Reduced:	ON6C22H26 (1)
Stoich.:	AB6C22D26 (1)
Weight, g/mol:	335.160932
ΔH_f, kcal/mol:	126.87
Dipole, Da:	2.96
IP(EA), eV:	-8.37(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N)C2=CN(C(=N2)C3(CC3)C#N)C45CC(C4)(C5)N6CCOCC6

DOS

IR

Vibrations