Geometry & MOs

Info

ID:	138480
PubChem CID:	52371249
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	369.229051
ΔH_f, kcal/mol:	-53.33
Dipole, Da:	3.84
IP(EA), eV:	-8.76(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-ium-1-yl]methyl]phthalazin-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)C(=O)C2CCN(CC2)CN3C(=O)C4=CC=CC=C4C=N3

DOS

IR

Vibrations