Geometry & MOs

Info

ID:	182810
PubChem CID:	76939821
Reduced:	NO4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	254.080376
ΔH_f, kcal/mol:	-137.96
Dipole, Da:	3.42
IP(EA), eV:	-9.47(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1H-pyrrol-2-ylmethylamino)phthalazine-1,4-dione

Drug info:

PubChemData

Smile

CNC(=O)CCOC1=CC=C(C=C1)C=CC(=O)O

DOS

IR

Vibrations