Geometry & MOs

Info

ID:	129012
PubChem CID:	51066460
Reduced:	N2O6H20C21 (1)
Stoich.:	A2B6C20D21 (1)
Weight, g/mol:	325.155218
ΔH_f, kcal/mol:	-184.42
Dipole, Da:	7.18
IP(EA), eV:	-9.2(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-[(1S)-10-oxo-8-azatricyclo[5.3.1.03,8]undeca-2,4,6-trien-5-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C(=C2C(=C1)COC2=O)NC(=O)C3=CC=CC=C3N4CCCC4=O)OC

DOS

IR

Vibrations