Geometry & MOs

Info

ID:	284979
PubChem CID:	104087374
Reduced:	NSO3C11H23 (1)
Stoich.:	ABC3D11E23 (1)
Weight, g/mol:	240.129634
ΔH_f, kcal/mol:	-165.82
Dipole, Da:	3.19
IP(EA), eV:	-8.73(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(propylamino)pyridin-3-yl]methylsulfanyl]propan-1-ol

Drug info:

PubChemData

Smile

CCNC(C)(CSC(C)CO)C(=O)OCC

DOS

IR

Vibrations