Geometry & MOs

Info

ID:	258992
PubChem CID:	103157825
Reduced:	SN3O3C10H17 (1)
Stoich.:	AB3C3D10E17 (1)
Weight, g/mol:	209.177964
ΔH_f, kcal/mol:	-63.88
Dipole, Da:	1.48
IP(EA), eV:	-8.69(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(2-methylbut-3-yn-2-ylamino)propan-2-ol

Drug info:

PubChemData

Smile

COC(CC1=NC(=NO1)C2CSCCO2)CN

DOS

IR

Vibrations