Geometry & MOs

Info

ID:	47855
PubChem CID:	10535648
Reduced:	NO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	189.111136
ΔH_f, kcal/mol:	-5.03
Dipole, Da:	1.51
IP(EA), eV:	-8.76(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4S,5S,6R,6aS)-6-(deuteriomethyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4,5-diol

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations