Geometry & MOs

Info

ID:	23509
PubChem CID:	604283
Reduced:	NO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	231.089543
ΔH_f, kcal/mol:	-78.05
Dipole, Da:	4.72
IP(EA), eV:	-9.09(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxypropylamino)naphthalene-1,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C=C(C2=O)NCCCO

DOS

IR

Vibrations