Geometry & MOs

Info

ID:	320885
PubChem CID:	126664112
Reduced:	INSO7C14H18 (1)
Stoich.:	ABCD7E14F18 (1)
Weight, g/mol:	155.094629
ΔH_f, kcal/mol:	-239.31
Dipole, Da:	5.87
IP(EA), eV:	-10.17(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-hydroxy-1-pyrrolidin-1-ylbut-2-en-1-one

Drug info:

PubChemData

Smile

C[C@](C1CN1)(C(=O)OCC(=O)OC2C3CC4C2OS(=O)(=O)C4C3)I

DOS

IR

Vibrations