Geometry & MOs

Info

ID:	8929
PubChem CID:	83691
Reduced:	NSO4C11H17 (1)
Stoich.:	ABC4D11E17 (1)
Weight, g/mol:	259.087829
ΔH_f, kcal/mol:	-154.75
Dipole, Da:	4.53
IP(EA), eV:	-9.1(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylbenzenesulfonic acid;morpholine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O.C1COCCN1

DOS

IR

Vibrations