Geometry & MOs

Info

ID:	202271
PubChem CID:	79650075
Reduced:	OSN2C13H22 (1)
Stoich.:	ABC2D13E22 (1)
Weight, g/mol:	256.160935
ΔH_f, kcal/mol:	-21.76
Dipole, Da:	3.87
IP(EA), eV:	-8.85(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxybutan-2-ylsulfanyl)-1-(propylamino)cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CC(CO)CSC1CCC(C1)(C#N)NC2CC2

DOS

IR

Vibrations