Geometry & MOs

Info

ID:

169911

PubChem CID:

75166216

Reduced:

OC9H12 (2)

Stoich.:

AB9C12 (2)

Weight, g/mol:

688.337559

ΔHf, kcal/mol:

-76.06

Dipole, Da:

1.9

IP(EA), eV:

 -9.42(0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,2-trifluoroacetate;[2,6,10-trimethyl-15-[4-methyl-6-(3,7,11-trimethyl-12-oxododeca-2,4,6,8,10-pentaenylidene)pyran-2-yl]hexadeca-2,4,6,8,10,12,14-heptaenylidene]oxidanium

Drug info:

PubChemData

Smile

CC(C)C1(C=C2C(O1)CCOC2(C)C)C3=CC=CC=C3

DOS

IR

Vibrations