Geometry & MOs

Info

ID:	206722
PubChem CID:	80289931
Reduced:	ON2C10H20 (1)
Stoich.:	AB2C10D20 (1)
Weight, g/mol:	301.144471
ΔH_f, kcal/mol:	-57.27
Dipole, Da:	4.15
IP(EA), eV:	-8.92(1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]methyl]pentan-1-ol

Drug info:

PubChemData

Smile

CCC(CCO)CNC1=NCCC1

DOS

IR

Vibrations