Geometry & MOs

Info

ID:	285859
PubChem CID:	104134027
Reduced:	ClO2N3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	311.140055
ΔH_f, kcal/mol:	-89.97
Dipole, Da:	1.6
IP(EA), eV:	-9.76(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-6-propan-2-ylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=C1)C(=O)N(C)CC(=O)NCCC)Cl

DOS

IR

Vibrations