Geometry & MOs

Info

ID:	282162
PubChem CID:	103917603
Reduced:	NO2C13H27 (1)
Stoich.:	AB2C13D27 (1)
Weight, g/mol:	309.122107
ΔH_f, kcal/mol:	-115.48
Dipole, Da:	2.02
IP(EA), eV:	-9.05(2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(dithiophen-2-ylmethylamino)methyl]hexan-1-ol

Drug info:

PubChemData

Smile

CCCC(CCO)CNC1CC(C1)OCC

DOS

IR

Vibrations