Geometry & MOs

Info

ID:	326031
PubChem CID:	126686128
Reduced:	ClN3O5C23H28 (1)
Stoich.:	AB3C5D23E28 (1)
Weight, g/mol:	330.121572
ΔH_f, kcal/mol:	-207.5
Dipole, Da:	14.34
IP(EA), eV:	-8.37(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[13-(dimethylamino)-6-hydroxy-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

CN1CCC[C@H]2[C@@H]1CN(C2)C3=CC4=C(C=C3)C5=C(CCC4)C(=C(C(=O)N5)OC(=O)O)O.Cl

DOS

IR

Vibrations