Geometry & MOs

Info

ID:	326038
PubChem CID:	126686162
Reduced:	ClN3O5C20H24 (1)
Stoich.:	AB3C5D20E24 (1)
Weight, g/mol:	385.163771
ΔH_f, kcal/mol:	-204.43
Dipole, Da:	13.67
IP(EA), eV:	-8.49(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-hydroxy-13-[3-(methylamino)pyrrolidin-1-yl]-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaen-5-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

CNC1CCN(C1)C2=CC3=C(C=C2)C4=C(CCC3)C(=C(C(=O)N4)OC(=O)O)O.Cl

DOS

IR

Vibrations