Geometry & MOs

Info

ID:	285853
PubChem CID:	104134011
Reduced:	ClO2N3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	322.090662
ΔH_f, kcal/mol:	-85.42
Dipole, Da:	1.71
IP(EA), eV:	-9.94(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-propylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=C1)C(=O)N2CCCCC2C(=O)N)Cl

DOS

IR

Vibrations