Geometry & MOs

Info

ID:	163048
PubChem CID:	57581478
Reduced:	ON4H26C27 (1)
Stoich.:	AB4C26D27 (1)
Weight, g/mol:	262.098524
ΔH_f, kcal/mol:	73.23
Dipole, Da:	2.79
IP(EA), eV:	-8.64(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-[(3S)-3-methylpiperazin-1-yl]phthalazine

Drug info:

PubChemData

Smile

C[C@H]1CN([C@@H](CN1C(=O)C2=CC=CC=C2)C)C3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

DOS

IR

Vibrations