Geometry & MOs

Info

ID:	163052
PubChem CID:	57581493
Reduced:	FON4H23C26 (1)
Stoich.:	ABC4D23E26 (1)
Weight, g/mol:	415.146681
ΔH_f, kcal/mol:	33.37
Dipole, Da:	2.58
IP(EA), eV:	-9.02(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-methyl-4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1C(=O)C2=CC=CC=C2)C3=NN=C(C4=C3C=CC(=C4)F)C5=CC=CC=C5

DOS

IR

Vibrations