Geometry & MOs

Info

ID:	284724
PubChem CID:	104064241
Reduced:	ClF2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	334.98249
ΔH_f, kcal/mol:	-97.48
Dipole, Da:	2.36
IP(EA), eV:	-8.47(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-6-chloro-1H-benzimidazol-4-amine

Drug info:

PubChemData

Smile

C1CC(CCC1C2=NC3=C(C=C(C=C3N2)Cl)N)(F)F

DOS

IR

Vibrations