Geometry & MOs

Info

ID:	343012
PubChem CID:	127266175
Reduced:	SN4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	349.236542
ΔH_f, kcal/mol:	63.27
Dipole, Da:	4.27
IP(EA), eV:	-8.67(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-hydroxypropyl(pyridin-2-ylmethyl)amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CN2CCCN(CC2)C3=CC=NC=C3

DOS

IR

Vibrations