Geometry & MOs

Info

ID:

312259

PubChem CID:

126603926

Reduced:

N2I4O4H31C35 (1)

Stoich.:

A2B4C4D31E35 (1)

Weight, g/mol:

182.13068

ΔHf, kcal/mol:

45.15

Dipole, Da:

5.78

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.531114

Charge, e:

 0

Chem-info

IUPAC name:

(1R)-2-cyclopentylcyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C(=[N+](C2=C1C3=C(C=C2)C(=CC(=C3)I)I)CC(=O)O)/C=C/C=C/C=C/C=C\4/C(C5=C(N4C)C=C(C=C5I)I)(C)CC(=O)O)C

DOS

IR

Vibrations