Geometry & MOs

Info

ID:

80357

PubChem CID:

49834148

Reduced:

FNO6C36H36 (1)

Stoich.:

ABC6D36E36 (1)

Weight, g/mol:

487.18344

ΔHf, kcal/mol:

-218.56

Dipole, Da:

3.94

IP(EA), eV:

 -9.65(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,3R,4R)-2-N-(4-bromophenyl)-3-N-[2-(diethylamino)ethyl]-3-N-ethylspiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide

Drug info:

PubChemData

Smile

C[C@]12C[C@@H](C3([C@H]([C@@H]1CCC2(C(=O)OCC#N)OC(=O)C4=CC=C(C=C4)CC5=CC=CC=C5)CCC6=CC(=O)C=C[C@@]63C)F)O

DOS

IR

Vibrations