Geometry & MOs

Info

ID:	281378
PubChem CID:	103913784
Reduced:	NSO3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	297.139865
ΔH_f, kcal/mol:	-117.99
Dipole, Da:	5.83
IP(EA), eV:	-8.7(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCNC2CCCS(=O)(=O)C2

DOS

IR

Vibrations