Geometry & MOs

Info

ID:	285512
PubChem CID:	104109952
Reduced:	ClSN2C11H19 (1)
Stoich.:	ABC2D11E19 (1)
Weight, g/mol:	212.108026
ΔH_f, kcal/mol:	-20.02
Dipole, Da:	2.39
IP(EA), eV:	-8.98(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(pyridin-3-ylmethyl)pentan-2-amine

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CNC(C)CC(C)Cl)C

DOS

IR

Vibrations