Geometry & MOs

Info

ID:

180623

PubChem CID:

76661484

Reduced:

C27H38 (1)

Stoich.:

A27B38 (1)

Weight, g/mol:

1238.520391

ΔHf, kcal/mol:

47.22

Dipole, Da:

2.92

IP(EA), eV:

 -7.74(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-22,27,32,37-tetrakis(hydroxymethyl)-2,9,11,14,19,21,24,26,29,31,34,36,46,47-tetradecaoxaoctacyclo[33.2.2.220,23.225,28.230,33.13,7.16,15.013,18]heptatetracontane-4,5,16,17,38,39,40,41,42,43,44,45-dodecol

Drug info:

PubChemData

Smile

CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C

DOS

IR

Vibrations