Geometry & MOs

Info

ID:	260986
PubChem CID:	103213064
Reduced:	BrClINOH8C13 (1)
Stoich.:	ABCDEF8G13 (1)
Weight, g/mol:	269.077596
ΔH_f, kcal/mol:	28.17
Dipole, Da:	6.71
IP(EA), eV:	-9.24(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-(2,2,2-trifluoroethoxymethyl)benzimidazole-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)C2=C(C=C(C=C2)N)Br)Cl)I

DOS

IR

Vibrations