Geometry & MOs

Info

ID:	24733
PubChem CID:	612799
Reduced:	ClN2H11C12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	218.061076
ΔH_f, kcal/mol:	87.4
Dipole, Da:	4.56
IP(EA), eV:	-8.76(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5,6-dimethyl-1-prop-2-ynylbenzimidazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N(C(=N2)Cl)CC#C

DOS

IR

Vibrations