Geometry & MOs

Info

ID:	207973
PubChem CID:	80476222
Reduced:	SN2H14C16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	154.05647
ΔH_f, kcal/mol:	87.13
Dipole, Da:	1.17
IP(EA), eV:	-9.24(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-thiazol-5-yl)but-3-en-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CN=CS3)N

DOS

IR

Vibrations