Geometry & MOs

Info

ID:	438290
PubChem CID:	135228022
Reduced:	FO2N4H9C10 (1)
Stoich.:	AB2C4D9E10 (1)
Weight, g/mol:	415.192072
ΔH_f, kcal/mol:	23.79
Dipole, Da:	2.86
IP(EA), eV:	-10.13(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,5-dimethyltriazol-4-yl)-3-(dipyridin-2-ylmethyl)-7-fluoro-2-methyl-1,2-dihydrobenzimidazole

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)C)C2=CC(=C(C=C2)[N+](=O)[O-])F

DOS

IR

Vibrations