Geometry & MOs

Info

ID:	337366
PubChem CID:	127257051
Reduced:	NO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-84.31
Dipole, Da:	2.97
IP(EA), eV:	-9.21(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-oxo-3-phenylpropyl) 2-pyrrolidin-3-ylacetate

Drug info:

PubChemData

Smile

C[C@H](COC(=O)C[C@H]1CCNC1)C2=CC=CC=C2

DOS

IR

Vibrations