Geometry & MOs

Info

ID:	216243
PubChem CID:	85085939
Reduced:	NO5C11H19 (1)
Stoich.:	AB5C11D19 (1)
Weight, g/mol:	245.105193
ΔH_f, kcal/mol:	-212.02
Dipole, Da:	3.59
IP(EA), eV:	-9.43(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-pyrrolidin-2-ylideneacetyl)phenyl]acetic acid

Drug info:

PubChemData

Smile

CC(=O)OC1CCN(O1)CC2COC(O2)(C)C

DOS

IR

Vibrations