Geometry & MOs

Info

ID:

190267

PubChem CID:

77978494

Reduced:

ClN2O3C31H33 (1)

Stoich.:

AB2C3D31E33 (1)

Weight, g/mol:

549.287909

ΔHf, kcal/mol:

-69.04

Dipole, Da:

3.83

IP(EA), eV:

 -8.95(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[11-[3-[5-hydroxy-5-(4-methylphenyl)cyclohepten-1-yl]propylidene]-5H-[1]benzoxepino[3,4-b]pyridin-9-yl]-4-methylpent-2-enoic acid

Drug info:

PubChemData

Smile

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC=C3C4=CC=CC=C4C(=O)N(C5=CC=CC=C53)CCO

DOS

IR

Vibrations