Geometry & MOs

Info

ID:	205585
PubChem CID:	80123694
Reduced:	NOSC15H19 (1)
Stoich.:	ABCD15E19 (1)
Weight, g/mol:	283.1606
ΔH_f, kcal/mol:	-7.65
Dipole, Da:	5.64
IP(EA), eV:	-8.72(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethylphenyl)methylsulfonyl]-2,2-dimethylbutan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CS(=O)C2CCCC2C#N)C

DOS

IR

Vibrations