Geometry & MOs

Info

ID:	284723
PubChem CID:	104064240
Reduced:	BrClN3H11C14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	285.084431
ΔH_f, kcal/mol:	47.08
Dipole, Da:	4.69
IP(EA), eV:	-8.31(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(4,4-difluorocyclohexyl)-1H-benzimidazol-4-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations