Geometry & MOs

Info

ID:

442720

PubChem CID:

135255932

Reduced:

OH27C48 (2)

Stoich.:

AB27C48 (2)

Weight, g/mol:

265.131408

ΔHf, kcal/mol:

344.89

Dipole, Da:

2.69

IP(EA), eV:

 -8.3(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-hydroxy-3-[6-(hydroxymethyl)pyridin-2-yl]cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)C5=C6C=CC=CC6=C(C7=CC=CC=C75)C8=CC9=C(C=C8)OC1=C9C=C2C=CC=C(C2=C1)C1=CC2=CC3=C(C=CC4=C3C=CC=C4C3=C4C=CC=CC4=C(C4=CC=CC=C43)C3=CC4=C(C=C3)OC3=CC5=CC=CC=C5C=C34)C=C2C=C1

DOS

IR

Vibrations