Geometry & MOs

Info

ID:	286600
PubChem CID:	104179397
Reduced:	SN2C13H28 (1)
Stoich.:	AB2C13D28 (1)
Weight, g/mol:	230.091141
ΔH_f, kcal/mol:	-32.03
Dipole, Da:	2.72
IP(EA), eV:	-8.47(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCN1CCC(CC1)CNCCCSCC

DOS

IR

Vibrations