Geometry & MOs

Info

ID:	249181
PubChem CID:	103087480
Reduced:	NSO2C12H25 (1)
Stoich.:	ABC2D12E25 (1)
Weight, g/mol:	230.064447
ΔH_f, kcal/mol:	-122.39
Dipole, Da:	2.41
IP(EA), eV:	-8.51(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(4-methylsulfanylbutyl)pyridin-3-amine

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OC)NCCCCSC

DOS

IR

Vibrations