Geometry & MOs

Info

ID:

189714

PubChem CID:

77894125

Reduced:

ClN3O5C36H44 (1)

Stoich.:

AB3C5D36E44 (1)

Weight, g/mol:

533.24452

ΔHf, kcal/mol:

-149.89

Dipole, Da:

4.84

IP(EA), eV:

 -8.98(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[11-[3-[4-amino-4-(4-chlorophenyl)piperidin-1-yl]propylidene]-5H-[1]benzoxepino[3,4-b]pyridin-9-yl]oxy]-2-methylpropan-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)COCC1(CN(CCC1(C2=CC=C(C=C2)Cl)N)CCC=C3C4=C(COC5=C3C=C(C=C5)C(C)(C)O)N=CC=C4)C

DOS

IR

Vibrations