Geometry & MOs

Info

ID:	296535
PubChem CID:	117581943
Reduced:	OSN3C13H13 (1)
Stoich.:	ABC3D13E13 (1)
Weight, g/mol:	243.083019
ΔH_f, kcal/mol:	39.26
Dipole, Da:	7.6
IP(EA), eV:	-8.4(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3,4-trimethylanilino)-1,3-thiazole-5-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC2=NC=C(S2)C#N)C

DOS

IR

Vibrations