Geometry & MOs

Info

ID:	126615
PubChem CID:	50970266
Reduced:	ClN3O3C18H20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	351.140533
ΔH_f, kcal/mol:	-105.75
Dipole, Da:	0.92
IP(EA), eV:	-9.04(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylphenyl)-pyridin-4-ylmethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1CNC(=O)C2=C(C=CC(=C2)NC(=O)C)Cl)OC)C

DOS

IR

Vibrations