Geometry & MOs

Info

ID:	64492
PubChem CID:	29201626
Reduced:	N2O5H24C25 (1)
Stoich.:	A2B5C24D25 (1)
Weight, g/mol:	432.168522
ΔH_f, kcal/mol:	-126.19
Dipole, Da:	5.28
IP(EA), eV:	-8.49(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-amino-1-oxopropan-2-yl] (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N)OC(=O)C1=C2CC/C(=C\C3=CC(=C(C=C3)OC)OC)/C2=NC4=CC=CC=C41

DOS

IR

Vibrations