Geometry & MOs

Info

ID:	38084
PubChem CID:	8026891
Reduced:	N4O5C19H22 (1)
Stoich.:	A4B5C19D22 (1)
Weight, g/mol:	396.106984
ΔH_f, kcal/mol:	-180.61
Dipole, Da:	2.17
IP(EA), eV:	-9.82(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

DOS

IR

Vibrations