Geometry & MOs

Info

ID:	199980
PubChem CID:	79326863
Reduced:	SO3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	254.156518
ΔH_f, kcal/mol:	-92.63
Dipole, Da:	5.4
IP(EA), eV:	-8.75(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]piperidin-4-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)C)CSC2COC2

DOS

IR

Vibrations