Geometry & MOs

Info

ID:	199392
PubChem CID:	79240716
Reduced:	NOSH15C17 (1)
Stoich.:	ABCD15E17 (1)
Weight, g/mol:	253.134575
ΔH_f, kcal/mol:	26.64
Dipole, Da:	2.31
IP(EA), eV:	-9.0(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-chloropyridin-2-yl)methyl]-N-ethylpiperidin-4-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=N2)CSC3=CC=CC(=C3)CO

DOS

IR

Vibrations