Geometry & MOs

Info

ID:	207020
PubChem CID:	80334337
Reduced:	OSN5C14H15 (1)
Stoich.:	ABC5D14E15 (1)
Weight, g/mol:	261.220498
ΔH_f, kcal/mol:	49.52
Dipole, Da:	9.24
IP(EA), eV:	-8.85(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(4-tert-butylpiperidin-1-yl)pyridin-4-yl]ethanamine

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)C(=S)N)C2=NN=C(C=C2)C(=O)N

DOS

IR

Vibrations