Geometry & MOs

Info

ID:	32956
PubChem CID:	7849676
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	332.10823
ΔH_f, kcal/mol:	-143.58
Dipole, Da:	7.26
IP(EA), eV:	-9.19(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethylphenyl)methyl 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/C(=O)OCC(=O)N2CCN(CC2)C(=O)C

DOS

IR

Vibrations