Geometry & MOs

Info

ID:	240461
PubChem CID:	93580340
Reduced:	NO3C23H31 (1)
Stoich.:	AB3C23D31 (1)
Weight, g/mol:	284.155849
ΔH_f, kcal/mol:	-108.84
Dipole, Da:	2.34
IP(EA), eV:	-8.82(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-aminophenyl)-N-methyl-N-[(2S)-4-methylpentan-2-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OC[C@@H](CN(C[C@@H]2CCCO2)CC3=CC=CC=C3)O)C

DOS

IR

Vibrations