Geometry & MOs

Info

ID:

80409

PubChem CID:

49834330

Reduced:

BrN2O3C21H25 (1)

Stoich.:

AB2C3D21E25 (1)

Weight, g/mol:

471.15214

ΔHf, kcal/mol:

-63.57

Dipole, Da:

3.63

IP(EA), eV:

 -9.2(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCCNC(=O)[C@@H]1[C@H]2C=C[C@H]([C@H]1C(=O)NC3=CC=C(C=C3)Br)C24CC4

DOS

IR

Vibrations