Geometry & MOs

Info

ID:

80410

PubChem CID:

49834331

Reduced:

BrO2N3C24H30 (1)

Stoich.:

AB2C3D24E30 (1)

Weight, g/mol:

486.16304

ΔHf, kcal/mol:

-24.05

Dipole, Da:

4.54

IP(EA), eV:

 -8.77(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,3R,4R)-3-N-(5-bromopyridin-2-yl)-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide

Drug info:

PubChemData

Smile

CCN1CCCC1CNC(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]2C(=O)NC4=CC=C(C=C4)Br)C35CC5

DOS

IR

Vibrations