Geometry & MOs

Info

ID:	438216
PubChem CID:	135227910
Reduced:	O2N3C24H27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	398.165523
ΔH_f, kcal/mol:	-10.1
Dipole, Da:	2.56
IP(EA), eV:	-8.58(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethyltriazol-4-yl)-1-[(3-fluoropyridin-2-yl)-phenylmethyl]benzimidazole

Drug info:

PubChemData

Smile

CN1C=C(C=CC1=O)C2=CC(=NC=C2)N(C)C(C3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations