Geometry & MOs

Info

ID:

299150

PubChem CID:

117673171

Reduced:

NOH40C43 (2)

Stoich.:

ABC40D43 (2)

Weight, g/mol:

465.194008

ΔHf, kcal/mol:

121.5

Dipole, Da:

0.86

IP(EA), eV:

 -7.47(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(2,6-dimethyl-4-prop-1-ynylphenyl)-3-oxo-4-(pyridin-2-ylmethyl)cyclopenten-1-yl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC=C1)N(C2=CC=CC3=C2OC4=C3C=CC=C4C5=CC=CC=C5C(C)C)C6=C7C=CC8=C9C7=C(C=CC9=C(C=C8C1CCCC1)N(C1=CC=CC(=C1)C(C)C)C1=CC=CC2=C1OC1=C2C=CC=C1C1=CC=CC=C1C(C)C)C(=C6)C1CCCC1

DOS

IR

Vibrations