Geometry & MOs

Info

ID:	402602
PubChem CID:	135056530
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	291.063068
ΔH_f, kcal/mol:	-81.57
Dipole, Da:	4.26
IP(EA), eV:	-8.28(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylideneamino)-4-ethylsulfanyl-1,3-thiazol-2-amine;hydrochloride

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C[C@H]2C=CCO2)OC

DOS

IR

Vibrations