Geometry & MOs

Info

ID:	226038
PubChem CID:	87249368
Reduced:	NO3C6H9 (2)
Stoich.:	AB3C6D9 (2)
Weight, g/mol:	288.095079
ΔH_f, kcal/mol:	-232.98
Dipole, Da:	3.51
IP(EA), eV:	-9.56(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzenesulfonyl chloride;methylcycloheptane

Drug info:

PubChemData

Smile

C(CC(CN(CCOC=O)CCOC=O)C(=O)O)C#N

DOS

IR

Vibrations