Geometry & MOs

Info

ID:	285798
PubChem CID:	104133120
Reduced:	ClON2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	294.149891
ΔH_f, kcal/mol:	-52.69
Dipole, Da:	5.17
IP(EA), eV:	-9.52(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-propylpyridin-4-yl)-(3,5-dimethylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=C1)C(=O)N(C)C2CCCCC2)Cl

DOS

IR

Vibrations