Geometry & MOs

Info

ID:

80411

PubChem CID:

49834332

Reduced:

BrO2N4C24H31 (1)

Stoich.:

AB2C4D24E31 (1)

Weight, g/mol:

422.268176

ΔHf, kcal/mol:

-14.87

Dipole, Da:

5.28

IP(EA), eV:

 -8.91(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,3R,4R)-3-N-(5-methylpyridin-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

C1CCN(C1)CCCCNC(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]2C(=O)NC4=NC=C(C=C4)Br)C35CC5

DOS

IR

Vibrations