Geometry & MOs

Info

ID:	440305
PubChem CID:	135230252
Reduced:	NOC9H13 (1)
Stoich.:	ABC9D13 (1)
Weight, g/mol:	337.110965
ΔH_f, kcal/mol:	3.69
Dipole, Da:	3.16
IP(EA), eV:	-9.98(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-methylpyridin-2-yl)methylsulfanyl]-1-(1-methyltetrazol-5-yl)benzimidazole

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CC2CCC2

DOS

IR

Vibrations