Geometry & MOs

Info

ID:	200301
PubChem CID:	79376422
Reduced:	SN3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	266.156518
ΔH_f, kcal/mol:	27.54
Dipole, Da:	5.55
IP(EA), eV:	-8.96(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3-methyl-1,2-thiazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCC(C(C)C)NC1=C(C(=NS1)C)C#N

DOS

IR

Vibrations