Geometry & MOs

Info

ID:	304050
PubChem CID:	124491703
Reduced:	ClO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	-10.44
Dipole, Da:	3.61
IP(EA), eV:	-8.94(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)propanoic acid

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)Cl)C2=NOC(=N2)[C@H]3CCCN3

DOS

IR

Vibrations