Geometry & MOs

Info

ID:	71668
PubChem CID:	48415177
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-43.23
Dipole, Da:	1.13
IP(EA), eV:	-9.0(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-but-3-ynylpiperazine-1-carbonyl)-2-propylphthalazin-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CCC#C)NC(=O)C2=CC=CO2

DOS

IR

Vibrations