Geometry & MOs

Info

ID:	264236
PubChem CID:	103444851
Reduced:	ClN2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	253.044046
ΔH_f, kcal/mol:	14.79
Dipole, Da:	1.81
IP(EA), eV:	-8.85(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-chloropyridin-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine

Drug info:

PubChemData

Smile

CCCNC(C=C(C)C)C1=C(C=CC=N1)Cl

DOS

IR

Vibrations