Geometry & MOs

Info

ID:	250037
PubChem CID:	103093733
Reduced:	ClNSC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	210.11907
ΔH_f, kcal/mol:	6.79
Dipole, Da:	1.9
IP(EA), eV:	-8.88(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-propyl-4-(1,3-thiazol-5-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)C(=CC1=CC(=CS1)Cl)C

DOS

IR

Vibrations