Geometry & MOs

Info

ID:	292593
PubChem CID:	117355932
Reduced:	NSO2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	241.11365
ΔH_f, kcal/mol:	-85.01
Dipole, Da:	6.94
IP(EA), eV:	-9.53(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methyl-4-methylsulfonylphenyl)butan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations