Geometry & MOs

Info

ID:	306127
PubChem CID:	125001695
Reduced:	O2N3C27H27 (1)
Stoich.:	A2B3C27D27 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	-0.88
Dipole, Da:	4.87
IP(EA), eV:	-8.54(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-[(2S)-1-(2-phenoxyacetyl)pyrrolidin-2-yl]pyridin-3-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C1CO[C@@H](CN1C(=O)CCC2=CNC3=CC=CC=C32)C4=CC=CC(=N4)CC5=CC=CC=C5

DOS

IR

Vibrations