Geometry & MOs

Info

ID:	285801
PubChem CID:	104133542
Reduced:	ClON3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	296.129156
ΔH_f, kcal/mol:	1.17
Dipole, Da:	2.61
IP(EA), eV:	-10.04(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[1-(oxolan-2-yl)ethyl]-6-propan-2-ylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=C1)C(=O)NCC2=CN=CC=C2)Cl

DOS

IR

Vibrations