Geometry & MOs

Info

ID:	292594
PubChem CID:	117355938
Reduced:	NSO2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	241.11365
ΔH_f, kcal/mol:	-85.19
Dipole, Da:	5.87
IP(EA), eV:	-9.56(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methyl-4-methylsulfonylphenyl)butan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)C)CCCCN

DOS

IR

Vibrations