Geometry & MOs

Info

ID:	438188
PubChem CID:	135227856
Reduced:	NOC9H15 (1)
Stoich.:	ABC9D15 (1)
Weight, g/mol:	412.181173
ΔH_f, kcal/mol:	-10.45
Dipole, Da:	3.39
IP(EA), eV:	-9.18(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CCCON=C1

DOS

IR

Vibrations