Geometry & MOs

Info

ID:	126260
PubChem CID:	50957905
Reduced:	N4O4C9H10 (1)
Stoich.:	A4B4C9D10 (1)
Weight, g/mol:	342.113506
ΔH_f, kcal/mol:	-74.14
Dipole, Da:	6.09
IP(EA), eV:	-9.78(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(2-methylpropyl)-6-oxo-N-(3-phenylprop-2-ynyl)-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2=NNC(=O)N2CCC(=O)O

DOS

IR

Vibrations