Geometry & MOs

Info

ID:	205586
PubChem CID:	80123695
Reduced:	NSO2C15H25 (1)
Stoich.:	ABC2D15E25 (1)
Weight, g/mol:	255.1293
ΔH_f, kcal/mol:	-101.62
Dipole, Da:	4.13
IP(EA), eV:	-9.12(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CS(=O)(=O)CCC(C)(C)CN)C

DOS

IR

Vibrations