Geometry & MOs

Info

ID:	386965
PubChem CID:	134983532
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	370.14501
ΔH_f, kcal/mol:	9.06
Dipole, Da:	4.3
IP(EA), eV:	-9.51(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(benzenesulfonyl)-3,3,3-trimethoxypropyl]cyclohexan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C\CCCC[N+](=O)[O-]

DOS

IR

Vibrations