Geometry & MOs

Info

ID:

449677

PubChem CID:

135300562

Reduced:

N3O44C102H195 (1)

Stoich.:

A3B44C102D195 (1)

Weight, g/mol:

379.23

ΔHf, kcal/mol:

-1890.86

Dipole, Da:

4.02

IP(EA), eV:

 -9.85(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z,5E,6E)-3-ethenyl-4,6-di(ethylidene)-1,2-bis[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrolo[1,2-a][1]benzazepine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)C(=O)OC(C)(C)C

DOS

IR

Vibrations