Geometry & MOs

Info

ID:	262417
PubChem CID:	103292415
Reduced:	ClN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	325.065176
ΔH_f, kcal/mol:	-61.54
Dipole, Da:	5.04
IP(EA), eV:	-9.18(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-aminoethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)Cl)CNC(=O)C(CC=C)N

DOS

IR

Vibrations