Geometry & MOs

Info

ID:	37749
PubChem CID:	8024056
Reduced:	FO2N3H24C25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	343.153206
ΔH_f, kcal/mol:	-69.79
Dipole, Da:	4.46
IP(EA), eV:	-8.49(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C[C@@H]2C(=O)NC3=CC=CC=C3N2CC4=CC=CC=C4F)C

DOS

IR

Vibrations