Geometry & MOs

Info

ID:	284725
PubChem CID:	104064419
Reduced:	BrClN3H11C14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	319.01204
ΔH_f, kcal/mol:	51.63
Dipole, Da:	1.48
IP(EA), eV:	-8.45(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-(3-fluoro-4-methylphenyl)-1H-benzimidazol-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC3=C(C=C(C=C3N2)Cl)N

DOS

IR

Vibrations