Geometry & MOs

Info

ID:

186979

PubChem CID:

77510465

Reduced:

ClO2N3C20H26 (1)

Stoich.:

AB2C3D20E26 (1)

Weight, g/mol:

568.18081

ΔHf, kcal/mol:

-52.44

Dipole, Da:

8.12

IP(EA), eV:

 -8.5(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-(2,4-dichlorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-4H-cycloocta[c]pyrazol-3-yl] N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)carbamate

Drug info:

PubChemData

Smile

CCN1C(NN2C(=CC(=C2C1=O)C(C)C)C)C3=C(C=C(C(=C3)Cl)C)OC

DOS

IR

Vibrations