Geometry & MOs

Info

ID:	296049
PubChem CID:	117552740
Reduced:	FN3H8C11 (1)
Stoich.:	AB3C8D11 (1)
Weight, g/mol:	247.05124
ΔH_f, kcal/mol:	37.53
Dipole, Da:	5.74
IP(EA), eV:	-9.3(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloro-2-methoxyphenyl)-5-methyl-1H-imidazole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)C#N)C2=CC=CC=C2F

DOS

IR

Vibrations