Geometry & MOs

Info

ID:

180621

PubChem CID:

76661482

Reduced:

N2O2H22C23 (1)

Stoich.:

A2B2C22D23 (1)

Weight, g/mol:

1256.530956

ΔHf, kcal/mol:

49.98

Dipole, Da:

1.67

IP(EA), eV:

 -9.33(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-hydroxy-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]methyl]-10,15,20,25,30-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol

Drug info:

PubChemData

Smile

C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)(C4=CC=CC(=C4)C=NO)O

DOS

IR

Vibrations