Geometry & MOs

Info

ID:	200710
PubChem CID:	79430711
Reduced:	NOC19H31 (1)
Stoich.:	ABC19D31 (1)
Weight, g/mol:	311.1919
ΔH_f, kcal/mol:	-70.74
Dipole, Da:	2.0
IP(EA), eV:	-8.66(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-(4-methylphenyl)-5-methylsulfonylpentan-1-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CCC2CCCO2)CNC(C)(C)C

DOS

IR

Vibrations