Geometry & MOs

Info

ID:

329388

PubChem CID:

126735978

Reduced:

C12O18H23 (2)

Stoich.:

A12B18C23 (2)

Weight, g/mol:

429.24565

ΔHf, kcal/mol:

-1662.63

Dipole, Da:

2.0

IP(EA), eV:

 -10.6(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethyl-4,6-dimethyl-N-phenyl-N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]aniline

Drug info:

PubChemData

Smile

C(C1[C@H]([C@@H](C([C@H](O1)O[C@@H]2C(O[C@H]([C@H](C2O)O)OC(C(C(C(C(C(C(C(C(C(C(C(O)(O)O)(O)O)(O)O)(O)O)(O)O)(O)O)(O)O)(O)O)(O)O)(O)O)(O)O)(O)O)CO)O)O)O)O

DOS

IR

Vibrations