Geometry & MOs

Info

ID:	216769
PubChem CID:	85086747
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	302.195405
ΔH_f, kcal/mol:	-68.25
Dipole, Da:	2.87
IP(EA), eV:	-8.37(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[2-hydroxyethyl(3-hydroxypropyl)amino]ethylamino]-1,3-dimethyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C1C4C(CCCON4CC3)C(=O)O

DOS

IR

Vibrations