Geometry & MOs

Info

ID:	285805
PubChem CID:	104133839
Reduced:	ClO2N3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	296.129156
ΔH_f, kcal/mol:	-84.73
Dipole, Da:	5.59
IP(EA), eV:	-9.91(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-propan-2-ylpyridin-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=C1)C(=O)NCC(=O)NCC)Cl

DOS

IR

Vibrations