Geometry & MOs

Info

ID:	398974
PubChem CID:	135036705
Reduced:	NS2C10H17 (1)
Stoich.:	AB2C10D17 (1)
Weight, g/mol:	191.094629
ΔH_f, kcal/mol:	9.41
Dipole, Da:	4.11
IP(EA), eV:	-8.38(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S)-2-nitrocyclopentyl]benzene

Drug info:

PubChemData

Smile

CN(C)C(=S)SC1CC2CCC1C2

DOS

IR

Vibrations