Geometry & MOs

Info

ID:	209121
PubChem CID:	80627447
Reduced:	SN2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	242.091141
ΔH_f, kcal/mol:	24.77
Dipole, Da:	2.55
IP(EA), eV:	-8.59(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-1,3-thiazol-4-yl)-1-(thian-2-yl)ethanamine

Drug info:

PubChemData

Smile

C1CCSC(C1)C(CC2=NC3=CC=CC=C3C=C2)N

DOS

IR

Vibrations