Geometry & MOs

Info

ID:	24602
PubChem CID:	611261
Reduced:	NCl3O4H18C19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	429.030141
ΔH_f, kcal/mol:	-147.41
Dipole, Da:	2.6
IP(EA), eV:	-9.22(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl 7-oxo-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1CC(=O)C2C34C1C(CC5=C3C(=CC=C5)O2)N(CC4)C(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations