Geometry & MOs

Info

ID:	202303
PubChem CID:	79654563
Reduced:	SO2N3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	256.178693
ΔH_f, kcal/mol:	-57.72
Dipole, Da:	2.42
IP(EA), eV:	-8.86(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-amino-3-[methyl(oxolan-2-ylmethyl)amino]cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1)SC2CCC(C2)(C(=O)OC)NC

DOS

IR

Vibrations