Geometry & MOs

Info

ID:	281907
PubChem CID:	103914537
Reduced:	SN2O3C13H22 (1)
Stoich.:	AB2C3D13E22 (1)
Weight, g/mol:	251.188529
ΔH_f, kcal/mol:	-125.37
Dipole, Da:	5.49
IP(EA), eV:	-8.8(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(6-hydroxyhexylamino)propyl]phenol

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1O)NCCCNS(=O)(=O)C

DOS

IR

Vibrations