Geometry & MOs

Info

ID:

185476

PubChem CID:

77302686

Reduced:

F2O2N4C19H21 (2)

Stoich.:

A2B2C4D19E21 (2)

Weight, g/mol:

402.09429

ΔHf, kcal/mol:

-296.85

Dipole, Da:

6.93

IP(EA), eV:

 -8.67(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-N-(4-bromophenyl)-2-N-cyclopropylspiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide

Drug info:

PubChemData

Smile

CC1CNCCN1C2=NC=C(C=C2)C(=O)NC3=C(C=C(C(=C3)C(F)(F)F)C4=CC=C(C=C4)C5=CN=C(N5)C6CCCN6C(=O)C(C(C)C)NC(=O)OC)F

DOS

IR

Vibrations