Geometry & MOs

Info

ID:	405851
PubChem CID:	135075723
Reduced:	ClNO2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	191.105862
ΔH_f, kcal/mol:	-32.03
Dipole, Da:	1.5
IP(EA), eV:	-9.03(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-dimethylimidazol-4-yl)-5-oxopentanenitrile

Drug info:

PubChemData

Smile

C/C(=N\OC)/C1=C(C=C(C=C1)OC)Cl

DOS

IR

Vibrations