Geometry & MOs

Info

ID:

305207

PubChem CID:

124767532

Reduced:

ClO2N3H11C14 (2)

Stoich.:

AB2C3D11E14 (2)

Weight, g/mol:

370.091334

ΔHf, kcal/mol:

-2.62

Dipole, Da:

2.53

IP(EA), eV:

 -8.93(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,7S,8R)-4-(2,4-dinitrophenyl)spiro[4,5-diazatricyclo[6.2.1.02,7]undec-9-ene-11,1'-cyclopropane]-3,6-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2CC(=NN2C(=O)CN3[C@H]4[C@H](C(=O)N(C4=O)C5=CC=C(C=C5)Cl)N=N3)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations