Geometry & MOs

Info

ID:

13239

PubChem CID:

223896

Reduced:

NO3C29H44 (2)

Stoich.:

AB3C29D44 (2)

Weight, g/mol:

908.664239

ΔHf, kcal/mol:

-305.91

Dipole, Da:

7.14

IP(EA), eV:

 -8.0(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-methyl-5-propan-2-yl-8-(tetradecyliminomethyl)-2-[1,6,7-trihydroxy-3-methyl-5-propan-2-yl-8-(tetradecyliminomethyl)naphthalen-2-yl]naphthalene-1,6,7-triol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCN=CC1=C(C(=C(C2=C1C(=C(C(=C2)C)C3=C(C4=C(C=C3C)C(=C(C(=C4C=NCCCCCCCCCCCCCC)O)O)C(C)C)O)O)C(C)C)O)O

DOS

IR

Vibrations