Geometry & MOs

Info

ID:

439012

PubChem CID:

135228774

Reduced:

O2N3C29H35 (1)

Stoich.:

A2B3C29D35 (1)

Weight, g/mol:

465.324294

ΔHf, kcal/mol:

1.95

Dipole, Da:

11.51

IP(EA), eV:

 -7.57(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E,2E)-2-ethylidene-5-[5-ethyl-4-[(1E)-1-(propylamino)buta-1,3-dien-2-yl]-2-(2,3,3-trimethylbutyl)phenyl]-3-oxohex-4-enoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=C)O)/C(=C/C=C(\N)/N4CCC4)/C=C)C(C)(C)C

DOS

IR

Vibrations