Geometry & MOs

Info

ID:	302943
PubChem CID:	124403777
Reduced:	NO2H19C20 (1)
Stoich.:	AB2C19D20 (1)
Weight, g/mol:	441.05757
ΔH_f, kcal/mol:	-11.92
Dipole, Da:	1.02
IP(EA), eV:	-8.1(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N[C@H]([C@@H]3[C@H]2C=CC3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations