Geometry & MOs

Info

ID:	200292
PubChem CID:	79376413
Reduced:	SN3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	234.068766
ΔH_f, kcal/mol:	28.28
Dipole, Da:	4.73
IP(EA), eV:	-9.01(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NSC(=C1C#N)NCCC2CCCCC2

DOS

IR

Vibrations