Geometry & MOs

Info

ID:	394547
PubChem CID:	135023167
Reduced:	O4C21H26 (1)
Stoich.:	A4B21C26 (1)
Weight, g/mol:	352.26136
ΔH_f, kcal/mol:	-129.12
Dipole, Da:	5.54
IP(EA), eV:	-9.64(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E,6R,8S,10E,12E,14R)-1,8-dihydroxy-14-(hydroxymethyl)-4,6,8,12-tetramethylhexadeca-4,10,12-trien-3-one

Drug info:

PubChemData

Smile

C[C@]12CCC3C(C1CCC24OCCO4)CCC5=CC(=O)C6(CO6)C=C35

DOS

IR

Vibrations