Geometry & MOs

Info

ID:	144695
PubChem CID:	53400302
Reduced:	NOH13C15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	220.00151
ΔH_f, kcal/mol:	40.92
Dipole, Da:	3.17
IP(EA), eV:	-9.8(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-5-(trifluoromethyl)-3aH-benzimidazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(C#N)C2=CC=CC=C2

DOS

IR

Vibrations