Geometry & MOs

Info

ID:

438847

PubChem CID:

135228605

Reduced:

N3O4C30H43 (1)

Stoich.:

A3B4C30D43 (1)

Weight, g/mol:

519.418863

ΔHf, kcal/mol:

-137.08

Dipole, Da:

8.74

IP(EA), eV:

 -8.38(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E,3E)-6-[4-[(Z)-1-amino-3-(1-aminohexan-3-ylimino)prop-1-en-2-yl]-5-ethyl-2-(2,3,3-trimethylbutyl)phenyl]-3-ethylidene-4-methylidenehept-5-en-2-one

Drug info:

PubChemData

Smile

C/C=C(\C(=O)/C=C(\C)/C1=CC(=C(C=C1CC(C)C(C)(C)C)/C(=C/N)/C=NC2CCNCC2)OC)/C(=O)O

DOS

IR

Vibrations