Geometry & MOs

Info

ID:	326011
PubChem CID:	126686030
Reduced:	N2O5C19H20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	385.163771
ΔH_f, kcal/mol:	-176.89
Dipole, Da:	11.89
IP(EA), eV:	-8.51(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-[3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-2-oxo-1,5-dihydrochromeno[4,3-b]pyridin-3-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC3=C(C=C2)C4=C(CCC3)C(=C(C(=O)N4)OC(=O)O)O

DOS

IR

Vibrations