Geometry & MOs

Info

ID:	128323
PubChem CID:	51039386
Reduced:	NPO5C20H22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	298.168128
ΔH_f, kcal/mol:	-182.76
Dipole, Da:	2.41
IP(EA), eV:	-8.94(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrrolidin-2-yl)pyridine;2-phenylacetic acid

Drug info:

PubChemData

Smile

CCOP(=O)([C@H]1[C@]2(O1)C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4)OCC

DOS

IR

Vibrations