Geometry & MOs

Info

ID:	23668
PubChem CID:	605357
Reduced:	ClN2H7C10 (1)
Stoich.:	AB2C7D10 (1)
Weight, g/mol:	190.029776
ΔH_f, kcal/mol:	105.62
Dipole, Da:	4.13
IP(EA), eV:	-9.15(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-prop-2-ynylbenzimidazole

Drug info:

PubChemData

Smile

C#CCN1C2=CC=CC=C2N=C1Cl

DOS

IR

Vibrations