Geometry & MOs

Info

ID:	281413
PubChem CID:	103913837
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	291.057456
ΔH_f, kcal/mol:	-97.59
Dipole, Da:	4.36
IP(EA), eV:	-8.18(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfonyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine

Drug info:

PubChemData

Smile

CC1CCCC(C1)CNC(C)C2=C(C=CC(=C2)OC)O

DOS

IR

Vibrations