Geometry & MOs

Info

ID:	311322
PubChem CID:	126590457
Reduced:	SN2O2C10H10 (1)
Stoich.:	AB2C2D10E10 (1)
Weight, g/mol:	173.105193
ΔH_f, kcal/mol:	-21.35
Dipole, Da:	2.53
IP(EA), eV:	-9.56(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(CC(=O)O)N2C=CN=C2

DOS

IR

Vibrations