Geometry & MOs

Info

ID:	171514
PubChem CID:	75386809
Reduced:	SN2O2C13H20 (1)
Stoich.:	AB2C2D13E20 (1)
Weight, g/mol:	297.139865
ΔH_f, kcal/mol:	-60.05
Dipole, Da:	2.06
IP(EA), eV:	-9.04(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine

Drug info:

PubChemData

Smile

CN(CC1=CN=CC=C1)C2CCCC2S(=O)(=O)C

DOS

IR

Vibrations