Geometry & MOs

Info

ID:	438293
PubChem CID:	135228025
Reduced:	N3C14H19 (1)
Stoich.:	A3B14C19 (1)
Weight, g/mol:	399.185924
ΔH_f, kcal/mol:	44.88
Dipole, Da:	6.22
IP(EA), eV:	-9.04(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,4-dimethyl-1H-diazet-3-yl)-1-[(3-fluoropyridin-2-yl)-phenylmethyl]-2-methylbenzimidazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=C(N=NN2C)C)C(C)C

DOS

IR

Vibrations