Geometry & MOs

Info

ID:	48042
PubChem CID:	10536752
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	217.121307
ΔH_f, kcal/mol:	-74.85
Dipole, Da:	4.77
IP(EA), eV:	-9.03(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,5S)-3-deuterio-5-methylcyclohex-2-en-1-yl] benzoate

Drug info:

PubChemData

Smile

CC(=O)N(C)C1=CC2=C(C=C1)C(=O)CCC2

DOS

IR

Vibrations