Geometry & MOs

Info

ID:	163047
PubChem CID:	57581473
Reduced:	ClN4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	422.210661
ΔH_f, kcal/mol:	61.65
Dipole, Da:	5.92
IP(EA), eV:	-8.72(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5R)-2,5-dimethyl-4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C[C@@H]1CNCCN1C2=NN=C(C3=CC=CC=C32)Cl

DOS

IR

Vibrations