Geometry & MOs

Info

ID:	20219
PubChem CID:	582722
Reduced:	O2N3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	219.100777
ΔH_f, kcal/mol:	-37.81
Dipole, Da:	2.6
IP(EA), eV:	-8.8(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-aminopropyl)-2H-phthalazine-1,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)NN(C2=O)CCCN

DOS

IR

Vibrations