Geometry & MOs

Info

ID:	438247
PubChem CID:	135227974
Reduced:	FN7H20C23 (1)
Stoich.:	AB7C20D23 (1)
Weight, g/mol:	428.212473
ΔH_f, kcal/mol:	119.83
Dipole, Da:	5.09
IP(EA), eV:	-8.96(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,5-dimethyltriazol-4-yl)-3-[(3-fluoropyridin-4-yl)-phenylmethyl]-2,2-dimethyl-1H-benzimidazole

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)C)C2=CC3=C(C=C2)N=C(N3C(C4=CN=CC=C4)C5=C(C=CC=N5)F)C

DOS

IR

Vibrations