Geometry & MOs

Info

ID:	386078
PubChem CID:	134980713
Reduced:	NO2C13H21 (1)
Stoich.:	AB2C13D21 (1)
Weight, g/mol:	255.147058
ΔH_f, kcal/mol:	-88.45
Dipole, Da:	2.86
IP(EA), eV:	-8.82(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[(1R,6R)-3,4-dimethyl-6-nitrocyclohex-3-en-1-yl]-2,2-dimethyl-1,3-dioxolane

Drug info:

PubChemData

Smile

C[C@@H]1CC=CC([C@@H]1N2CCCC2)C(=O)OC

DOS

IR

Vibrations