Geometry & MOs

Info

ID:	225010
PubChem CID:	85735482
Reduced:	SO3C12H16 (1)
Stoich.:	AB3C12D16 (1)
Weight, g/mol:	276.062281
ΔH_f, kcal/mol:	-117.91
Dipole, Da:	4.96
IP(EA), eV:	-8.3(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-[3-(trifluoromethyl)phenyl]imidazole-4,5-dicarbonitrile

Drug info:

PubChemData

Smile

CC=C(CO)SC1=CC=CC=C1.CC(=O)O

DOS

IR

Vibrations