Geometry & MOs

Info

ID:	39053
PubChem CID:	8138566
Reduced:	N2Cl3O4C15H15 (1)
Stoich.:	A2B3C4D15E15 (1)
Weight, g/mol:	416.173607
ΔH_f, kcal/mol:	-144.56
Dipole, Da:	3.15
IP(EA), eV:	-9.61(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2,4-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

Drug info:

PubChemData

Smile

CN(CC(=O)NC1CC1)C(=O)COC(=O)C2=C(C=CC(=C2Cl)Cl)Cl

DOS

IR

Vibrations