Geometry & MOs

Info

ID:	370593
PubChem CID:	127339731
Reduced:	O2N4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	337.153875
ΔH_f, kcal/mol:	-93.54
Dipole, Da:	1.06
IP(EA), eV:	-9.26(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(CC2)C(=O)CNC(=O)CC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations