Geometry & MOs

Info

ID:	61519
PubChem CID:	26710174
Reduced:	ClFON3H15C19 (1)
Stoich.:	ABCD3E15F19 (1)
Weight, g/mol:	405.168856
ΔH_f, kcal/mol:	11.32
Dipole, Da:	3.02
IP(EA), eV:	-9.37(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-(4-oxo-3-phenylphthalazine-1-carbonyl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)CN2C(=CC=N2)NC(=O)/C=C/C3=CC(=CC=C3)F

DOS

IR

Vibrations