Geometry & MOs

Info

ID:	296048
PubChem CID:	117552687
Reduced:	OCl2N2H8C10 (1)
Stoich.:	AB2C2D8E10 (1)
Weight, g/mol:	201.070225
ΔH_f, kcal/mol:	-26.99
Dipole, Da:	2.73
IP(EA), eV:	-8.73(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-fluorophenyl)-5-methyl-1H-imidazole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(NC(=O)N1)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations