Geometry & MOs

Info

ID:	295308
PubChem CID:	117525984
Reduced:	SN2H12C13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	246.062698
ΔH_f, kcal/mol:	62.9
Dipole, Da:	5.6
IP(EA), eV:	-9.13(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NC(=C(S2)C#N)C)C

DOS

IR

Vibrations