Geometry & MOs

Info

ID:	253667
PubChem CID:	103119884
Reduced:	BrN4H11C15 (1)
Stoich.:	AB4C11D15 (1)
Weight, g/mol:	216.081124
ΔH_f, kcal/mol:	141.39
Dipole, Da:	9.24
IP(EA), eV:	-8.33(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-4-fluoro-2-(2-methyl-1H-pyrazol-5-ylidene)benzimidazole

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2/C(=C/3\N=C4C=CC(=CC4=N3)Br)/N1

DOS

IR

Vibrations