Geometry & MOs

Info

ID:

221827

PubChem CID:

85286183

Reduced:

N2O2C19H23 (2)

Stoich.:

A2B2C19D23 (2)

Weight, g/mol:

628.376389

ΔHf, kcal/mol:

-82.58

Dipole, Da:

1.4

IP(EA), eV:

 -9.08(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[18-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-16-(hydroxymethyl)-3,7,12-trimethyl-2-oxooctadeca-3,5,7,9,11,13,15,17-octaenylidene]-2-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CCCCN(CCCNC(=O)OC2=CC=CC=C2)CC3=CC=CC=C3)CCCNC(=O)OC4=CC=CC=C4

DOS

IR

Vibrations