Geometry & MOs

Info

ID:	281600
PubChem CID:	103914097
Reduced:	ON4C12H22 (1)
Stoich.:	AB4C12D22 (1)
Weight, g/mol:	281.111936
ΔH_f, kcal/mol:	-38.47
Dipole, Da:	3.84
IP(EA), eV:	-9.1(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-3-[(2-methylsulfonylcyclopentyl)amino]butan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CNC(C(C)C)C(=O)N

DOS

IR

Vibrations