Geometry & MOs

Info

ID:	200294
PubChem CID:	79376415
Reduced:	SN6C10H12 (1)
Stoich.:	AB6C10D12 (1)
Weight, g/mol:	273.057198
ΔH_f, kcal/mol:	104.25
Dipole, Da:	4.76
IP(EA), eV:	-9.54(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1,2-thiazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=NSC(=C1C#N)NC(C)C2=NN=CN2C

DOS

IR

Vibrations