Geometry & MOs

Info

ID:

296846

PubChem CID:

117596310

Reduced:

N3O12H29C31 (1)

Stoich.:

A3B12C29D31 (1)

Weight, g/mol:

642.392039

ΔHf, kcal/mol:

-277.32

Dipole, Da:

12.56

IP(EA), eV:

 -8.02(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-hydroxy-4-methoxyphenyl)-phenylmethanone;5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-11-ene-6,2'-oxane]-16-ol

Drug info:

PubChemData

Smile

CC1(C=CC2=C(O1)C=C(C3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC)O)C.C1COC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]

DOS

IR

Vibrations