Geometry & MOs

Info

ID:	71542
PubChem CID:	48415020
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	-17.41
Dipole, Da:	3.78
IP(EA), eV:	-8.79(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC(C)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations