Geometry & MOs

Info

ID:	173358
PubChem CID:	75627157
Reduced:	N2O2H20C21 (1)
Stoich.:	A2B2C20D21 (1)
Weight, g/mol:	376.166117
ΔH_f, kcal/mol:	2.69
Dipole, Da:	3.6
IP(EA), eV:	-9.24(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[3-(2-benzylpyrrolidin-1-yl)-3-oxopropyl]phthalazin-2-ium-1,4-dione

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C=CC2=NC3=CC=CC=C3O2)CC4=CC=CC=C4

DOS

IR

Vibrations