Geometry & MOs

Info

ID:	438248
PubChem CID:	135227975
Reduced:	FN6C25H25 (1)
Stoich.:	AB6C25D25 (1)
Weight, g/mol:	426.196823
ΔH_f, kcal/mol:	86.95
Dipole, Da:	7.6
IP(EA), eV:	-8.27(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethyltriazol-4-yl)-1-[(4-fluorophenyl)-(4-methylphenyl)methyl]-2-methylimidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)C)C2=CC3=C(C=C2)NC(N3C(C4=CC=CC=C4)C5=C(C=NC=C5)F)(C)C

DOS

IR

Vibrations