Geometry & MOs

Info

ID:

441027

PubChem CID:

135232767

Reduced:

NC30H37 (1)

Stoich.:

AB30C37 (1)

Weight, g/mol:

496.218449

ΔHf, kcal/mol:

29.57

Dipole, Da:

2.22

IP(EA), eV:

 -8.38(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,4Z)-3-[(3E)-3-(3-tert-butyl-5-naphthalen-1-yl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-oxadiazol-5-yl]-2,4-dimethylhepta-2,4-dienethial

Drug info:

PubChemData

Smile

CCC(C1=C(C=CC=C1C)C)NC(=C)C2=CC(=CC(=C2C)C3=CC=CC=C3)C(C)(C)C

DOS

IR

Vibrations