Geometry & MOs

Info

ID:	126355
PubChem CID:	50961552
Reduced:	ClON4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	316.143645
ΔH_f, kcal/mol:	1.06
Dipole, Da:	3.33
IP(EA), eV:	-9.33(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-cyclopropyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)methyl]-1H-benzimidazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2C(=NNC2=O)CCN

DOS

IR

Vibrations