Geometry & MOs

Info

ID:

59688

PubChem CID:

24893702

Reduced:

ClON5C14H24 (1)

Stoich.:

ABC5D14E24 (1)

Weight, g/mol:

525.293782

ΔHf, kcal/mol:

-1.29

Dipole, Da:

4.63

IP(EA), eV:

 -6.62(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S,9S,12R,13S,14S,19S,22S,23S,25S)-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-10,12,13,14,16,17,22,23-octol

Drug info:

PubChemData

Smile

CC(C)CCOC1=C(C=C(C=C1)C/[NH+]=C(\N)/[NH+]=C(N)N)Cl

DOS

IR

Vibrations