Geometry & MOs

Info

ID:

446430

PubChem CID:

135274924

Reduced:

ON2C9H14 (1)

Stoich.:

AB2C9D14 (1)

Weight, g/mol:

1133.385748

ΔHf, kcal/mol:

-42.39

Dipole, Da:

2.89

IP(EA), eV:

-8.34(0.3)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4E,14E,19E,29E)-31-(2-aminoethyl)-6,16,21,26-tetrakis(2-hydroxyethyl)-10,35-bis(hydroxymethyl)-2,7,9,12,17,22,27,32,34-nonaoxatricyclo[31.2.2.28,11]nonatriaconta-4,14,19,24,29-pentaene-3,4,5,13,14,15,18,19,20,23,24,25,28,29,30,36,37,38,39-nonadecol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N)C)C(N)O

DOS

IR

Vibrations