Geometry & MOs

Info

ID:	272765
PubChem CID:	103756082
Reduced:	BrClFON3H8C12 (1)
Stoich.:	ABCDE3F8G12 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	-39.94
Dipole, Da:	3.87
IP(EA), eV:	-9.47(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylcyclohexyl)methyl]-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)NC(=O)C2=CC(=NC(=C2)Cl)N)Br

DOS

IR

Vibrations