Geometry & MOs

Info

ID:	438208
PubChem CID:	135227902
Reduced:	FN7C24H26 (1)
Stoich.:	AB7C24D26 (1)
Weight, g/mol:	303.148396
ΔH_f, kcal/mol:	88.28
Dipole, Da:	3.95
IP(EA), eV:	-8.15(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-6-(3,5-dimethyltriazol-4-yl)benzimidazole

Drug info:

PubChemData

Smile

C/C(=N/N)/C(=NC)C1=CC2=C(C(=C1)F)NC(N2C(C3=CC=CC=N3)C4=CC=CC=N4)(C)C

DOS

IR

Vibrations