Geometry & MOs

Info

ID:	202237
PubChem CID:	79645468
Reduced:	SO2N5C13H21 (1)
Stoich.:	AB2C5D13E21 (1)
Weight, g/mol:	297.241627
ΔH_f, kcal/mol:	-2.19
Dipole, Da:	5.09
IP(EA), eV:	-9.3(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(ethylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CCNC1(CCC(C1)SC2=NN=NN2C3CC3)C(=O)OC

DOS

IR

Vibrations