Geometry & MOs

Info

ID:	163046
PubChem CID:	57581472
Reduced:	FON4H23C26 (1)
Stoich.:	ABC4D23E26 (1)
Weight, g/mol:	262.098524
ΔH_f, kcal/mol:	32.23
Dipole, Da:	6.74
IP(EA), eV:	-8.85(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-[(2R)-2-methylpiperazin-1-yl]phthalazine

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4F)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations