Geometry & MOs

Info

ID:	292592
PubChem CID:	117355930
Reduced:	NSO2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	241.11365
ΔH_f, kcal/mol:	-84.13
Dipole, Da:	5.03
IP(EA), eV:	-9.33(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations