Geometry & MOs

Info

ID:

296806

PubChem CID:

117594036

Reduced:

ClNO4H36C38 (1)

Stoich.:

ABC4D36E38 (1)

Weight, g/mol:

599.288303

ΔHf, kcal/mol:

-88.42

Dipole, Da:

6.47

IP(EA), eV:

 -9.24(-1.12)

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;3,4,6a,10-tetrahydroxy-6,7-dihydroindeno[2,1-c]chromen-9-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O.Cl

DOS

IR

Vibrations