Geometry & MOs

Info

ID:	285806
PubChem CID:	104133883
Reduced:	ClN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	310.144806
ΔH_f, kcal/mol:	-91.08
Dipole, Da:	5.79
IP(EA), eV:	-9.71(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-tert-butyl-6-chloropyridin-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=C1)C(=O)N2CCCC(C2)CO)Cl

DOS

IR

Vibrations