Geometry & MOs

Info

ID:	284878
PubChem CID:	104079967
Reduced:	NOSC14H23 (1)
Stoich.:	ABCD14E23 (1)
Weight, g/mol:	247.204848
ΔH_f, kcal/mol:	-35.86
Dipole, Da:	1.63
IP(EA), eV:	-8.52(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methylpyridin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine

Drug info:

PubChemData

Smile

CCSCCCNCCC1=CC=C(C=C1)OC

DOS

IR

Vibrations