Geometry & MOs

Info

ID:

214574

PubChem CID:

85083217

Reduced:

NO9C30H33 (1)

Stoich.:

AB9C30D33 (1)

Weight, g/mol:

551.324688

ΔHf, kcal/mol:

-292.65

Dipole, Da:

2.41

IP(EA), eV:

 -8.69(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,7-dimethyl-N-[4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]phenyl]-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

Drug info:

PubChemData

Smile

COC1=CC23CCCN2CCC4=CC5=C(C=C4C3C1OC(=O)C(CC6=CC=CC=C6)(C(C(=O)OC)O)O)OCO5

DOS

IR

Vibrations