Geometry & MOs

Info

ID:

80261

PubChem CID:

49833773

Reduced:

BrFN2O2C19H20 (1)

Stoich.:

ABC2D2E19F20 (1)

Weight, g/mol:

501.19909

ΔHf, kcal/mol:

-66.92

Dipole, Da:

4.2

IP(EA), eV:

 -9.26(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC12[C@@H]3C=C[C@@H]2[C@H]([C@@H]3C(=O)NCCF)C(=O)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations