Geometry & MOs

Info

ID:	202270
PubChem CID:	79648996
Reduced:	FNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	254.145285
ΔH_f, kcal/mol:	-155.7
Dipole, Da:	3.46
IP(EA), eV:	-8.99(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropylamino)-3-(3-hydroxy-2-methylpropyl)sulfanylcyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)C1(CCC(C1)OC2=CC=CC=C2F)N

DOS

IR

Vibrations