Geometry & MOs

Info

ID:

180626

PubChem CID:

76661487

Reduced:

C5H7 (6)

Stoich.:

A5B7 (6)

Weight, g/mol:

1254.551691

ΔHf, kcal/mol:

49.91

Dipole, Da:

2.37

IP(EA), eV:

 -7.77(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

25-[[1-hydroxy-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]methyl]-5,10,15,20,30-pentakis(hydroxymethyl)-41-methyl-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-31,32,33,34,35,36,37,38,39,40,42-undecol

Drug info:

PubChemData

Smile

CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C)C)C)C)C

DOS

IR

Vibrations