Geometry & MOs

Info

ID:	42328
PubChem CID:	8149441
Reduced:	N3C22H25 (1)
Stoich.:	A3B22C25 (1)
Weight, g/mol:	331.204848
ΔH_f, kcal/mol:	63.87
Dipole, Da:	3.94
IP(EA), eV:	-8.64(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-(4-methylphenyl)phthalazine

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C)C

DOS

IR

Vibrations