Geometry & MOs

Info

ID:	296541
PubChem CID:	117582107
Reduced:	OSN4H8C12 (1)
Stoich.:	ABC4D8E12 (1)
Weight, g/mol:	247.057947
ΔH_f, kcal/mol:	83.38
Dipole, Da:	4.72
IP(EA), eV:	-9.27(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1CNC3=NC=C(S3)C#N)OC=N2

DOS

IR

Vibrations