Geometry & MOs

Info

ID:	11278
PubChem CID:	112932
Reduced:	O3C26H44 (1)
Stoich.:	A3B26C44 (1)
Weight, g/mol:	404.329045
ΔH_f, kcal/mol:	-175.02
Dipole, Da:	1.38
IP(EA), eV:	-10.42(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R,7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadecyl]cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

C[C@@H](CCC[C@@H](C)CCC[C@](C)(CCC1=CC(=O)C=CC1=O)O)CCCC(C)C

DOS

IR

Vibrations