Geometry & MOs

Info

ID:

184436

PubChem CID:

77159697

Reduced:

N2O3C12H22 (1)

Stoich.:

A2B3C12D22 (1)

Weight, g/mol:

755.416396

ΔHf, kcal/mol:

-152.3

Dipole, Da:

5.85

IP(EA), eV:

 -9.06(0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid;methyl 7-[3-hydroxy-2-(4-hydroxy-4-methyloct-1-enyl)-5-oxocyclopentyl]heptanoate;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)N1CCC2(C1CN(C2)C(=O)O)OC

DOS

IR

Vibrations