Geometry & MOs

Info

ID:	206648
PubChem CID:	80277976
Reduced:	ClN4H9C14 (1)
Stoich.:	AB4C9D14 (1)
Weight, g/mol:	208.074896
ΔH_f, kcal/mol:	115.61
Dipole, Da:	4.06
IP(EA), eV:	-9.86(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyano-5-methylphenyl)imidazole-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C(=N2)Cl)CN3C=CN=C3C#N

DOS

IR

Vibrations