Geometry & MOs

Info

ID:	42329
PubChem CID:	8149442
Reduced:	N3C22H25 (1)
Stoich.:	A3B22C25 (1)
Weight, g/mol:	331.204848
ΔH_f, kcal/mol:	65.33
Dipole, Da:	3.7
IP(EA), eV:	-8.59(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,5R)-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