Geometry & MOs

Info

ID:	326005
PubChem CID:	126685996
Reduced:	ClN3O6C22H24 (1)
Stoich.:	AB3C6D22E24 (1)
Weight, g/mol:	435.156099
ΔH_f, kcal/mol:	-224.68
Dipole, Da:	8.43
IP(EA), eV:	-8.68(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-[3-(dimethylamino)pyrrolidin-1-yl]-4-hydroxy-5-methyl-2-oxo-5,6-dihydro-1H-benzo[h]quinolin-3-yl] hydrogen carbonate;hydrochloride

Drug info:

PubChemData

Smile

CN1C(=CC2=CC3=C(C=C21)OCCC4=C3NC(=O)C(=C4O)OC(=O)O)CN5CCCC5.Cl

DOS

IR

Vibrations