Geometry & MOs

Info

ID:	441188
PubChem CID:	135233509
Reduced:	FN6H15C19 (1)
Stoich.:	AB6C15D19 (1)
Weight, g/mol:	410.146679
ΔH_f, kcal/mol:	97.22
Dipole, Da:	3.57
IP(EA), eV:	-9.15(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-(6-methylpyridin-2-yl)-3-(4,4,4-trifluorobutyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=C(N(C=N2)CCF)C3=CN4C(=NC=C4C#N)C=C3

DOS

IR

Vibrations