Geometry & MOs

Info

ID:	353793
PubChem CID:	127285429
Reduced:	FNSO2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	249.139865
ΔH_f, kcal/mol:	-104.78
Dipole, Da:	7.89
IP(EA), eV:	-9.21(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-4-(3-methylbutylsulfonyl)morpholine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)N2CC3CCC2C3)F

DOS

IR

Vibrations