Geometry & MOs

Info

ID:	326006
PubChem CID:	126686001
Reduced:	ClN3O5C21H26 (1)
Stoich.:	AB3C5D21E26 (1)
Weight, g/mol:	399.179421
ΔH_f, kcal/mol:	-209.47
Dipole, Da:	13.55
IP(EA), eV:	-8.56(-0.91)
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

Drug info:

PubChemData

Smile

CC1CC2=C(C=CC(=C2)N3CCC(C3)N(C)C)C4=C1C(=C(C(=O)N4)OC(=O)O)O.Cl

DOS

IR

Vibrations