Geometry & MOs

Info

ID:	339201
PubChem CID:	127260580
Reduced:	ClN2O4C18H31 (1)
Stoich.:	AB2C4D18E31 (1)
Weight, g/mol:	360.181585
ΔH_f, kcal/mol:	-210.74
Dipole, Da:	8.21
IP(EA), eV:	-9.03(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[bis(2-hydroxyethyl)amino]propyl]-2-propoxybenzamide;hydrochloride

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC=C1C(=O)NCCCN(CCO)CCO.Cl

DOS

IR

Vibrations