Geometry & MOs

Info

ID:	330366
PubChem CID:	127247353
Reduced:	ON4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	337.153875
ΔH_f, kcal/mol:	12.96
Dipole, Da:	4.14
IP(EA), eV:	-8.27(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)CCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations