Geometry & MOs

Info

ID:

185010

PubChem CID:

77239730

Reduced:

O3N5C23H28 (2)

Stoich.:

A3B5C23D28 (2)

Weight, g/mol:

335.209658

ΔHf, kcal/mol:

-164.68

Dipole, Da:

3.17

IP(EA), eV:

 -9.22(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-cyclopentyl-6-(nitromethyl)-6-bicyclo[3.2.0]hept-3-enyl]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C)(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CN=C5C=C(C=CC5=N4)C6=CN=C(N6)C7CCCN7C(=O)C(CC8CCCCC8)NC(=O)OC)OC(=O)N

DOS

IR

Vibrations