Geometry & MOs

Info

ID:

179545

PubChem CID:

76496211

Reduced:

N2O5C21H24 (1)

Stoich.:

A2B5C21D24 (1)

Weight, g/mol:

521.350509

ΔHf, kcal/mol:

-189.45

Dipole, Da:

9.39

IP(EA), eV:

 -9.69(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[1-[5-hydroxy-5-[1-(4-propyl-1,3-oxazol-2-yl)cyclopropyl]pent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Drug info:

PubChemData

Smile

C1CCC(C1)C2CCCC(C(=O)N2CC(=O)O)N3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations