Geometry & MOs

Info

ID:

296742

PubChem CID:

117591257

Reduced:

NO9H35C36 (1)

Stoich.:

AB9C35D36 (1)

Weight, g/mol:

557.314123

ΔHf, kcal/mol:

-283.37

Dipole, Da:

4.3

IP(EA), eV:

 -8.14(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide;1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CC(C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC.C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)N)O

DOS

IR

Vibrations