Geometry & MOs

Info

ID:	71504
PubChem CID:	48414971
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	1.28
Dipole, Da:	3.91
IP(EA), eV:	-8.88(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethyl]-2H-phthalazine-1,4-dione

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations