Geometry & MOs

Info

ID:	288022
PubChem CID:	104308553
Reduced:	ClN2O2C6H7 (1)
Stoich.:	AB2C2D6E7 (1)
Weight, g/mol:	183.056325
ΔH_f, kcal/mol:	-60.27
Dipole, Da:	5.68
IP(EA), eV:	-10.47(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-(4,5-dimethylimidazol-1-yl)propanenitrile

Drug info:

PubChemData

Smile

C1COC(=O)N1CC(C#N)Cl

DOS

IR

Vibrations