Geometry & MOs

Info

ID:

399245

PubChem CID:

135039106

Reduced:

ON3C11H14 (1)

Stoich.:

AB3C11D14 (1)

Weight, g/mol:

240.136159

ΔHf, kcal/mol:

36.18

Dipole, Da:

3.4

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.775142

Charge, e:

0

Chem-info

IUPAC name:

5-[(1S)-1-[(1R,3R)-2,2,3-trimethylcyclopentyl]ethyl]dioxolane-3,4-dione

Drug info:

PubChemData

Smile

CN1C(=[N+](C=N1)C)C(C2=CC=CC=C2)O

DOS

IR

Vibrations