Geometry & MOs

Info

ID:	208073
PubChem CID:	80491882
Reduced:	FOSN2C13H15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	182.08777
ΔH_f, kcal/mol:	-27.78
Dipole, Da:	2.83
IP(EA), eV:	-8.79(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,3-dimethyl-1-(1,3-thiazol-4-yl)but-3-en-1-amine

Drug info:

PubChemData

Smile

CNC(CC1=CC(=C(C=C1)OC)F)C2=CSC=N2

DOS

IR

Vibrations