Geometry & MOs

Info

ID:	36610
PubChem CID:	8009651
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	418.164105
ΔH_f, kcal/mol:	-129.79
Dipole, Da:	5.48
IP(EA), eV:	-9.26(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-cyanoanilino)-2-oxoethyl] 4-oxo-3-pentylphthalazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)COC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations