Geometry & MOs

Info

ID:	208081
PubChem CID:	80492724
Reduced:	N2O2S2H8C13 (1)
Stoich.:	A2B2C2D8E13 (1)
Weight, g/mol:	198.136828
ΔH_f, kcal/mol:	19.86
Dipole, Da:	6.43
IP(EA), eV:	-9.08(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxetan-3-ylamino)-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)O)C2=CSC(=N2)C3=CSC=N3

DOS

IR

Vibrations