Geometry & MOs

Info

ID:

388975

PubChem CID:

134990788

Reduced:

NO6C14H21 (1)

Stoich.:

AB6C14D21 (1)

Weight, g/mol:

536.438202

ΔHf, kcal/mol:

-255.97

Dipole, Da:

6.55

IP(EA), eV:

 -9.57(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,3,3-trimethyl-2-[(1E,3E,5E,7E,12E,14E,16E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,12,14,16-heptaen-9-ynyl]cyclohexene

Drug info:

PubChemData

Smile

C[C@H](CC1=CC=CC=C1)NC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

DOS

IR

Vibrations