Geometry & MOs

Info

ID:

13238

PubChem CID:

223894

Reduced:

NO3C25H36 (2)

Stoich.:

AB3C25D36 (2)

Weight, g/mol:

796.539038

ΔHf, kcal/mol:

-272.8

Dipole, Da:

3.32

IP(EA), eV:

 -7.97(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(decyliminomethyl)-2-[8-(decyliminomethyl)-1,6,7-trihydroxy-3-methyl-5-propylnaphthalen-2-yl]-3-methyl-5-propylnaphthalene-1,6,7-triol

Drug info:

PubChemData

Smile

CCCCCCCCCCN=CC1=C2C(=C(C(=C1O)O)CCC)C=C(C(=C2O)C3=C(C4=C(C(=C(C(=C4C=C3C)CCC)O)O)C=NCCCCCCCCCC)O)C

DOS

IR

Vibrations