Geometry & MOs

Info

ID:	306128
PubChem CID:	125001696
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	-78.45
Dipole, Da:	5.04
IP(EA), eV:	-9.09(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NCC1=CN=C(C=C1)[C@@H]2CCCN2C(=O)COC3=CC=CC=C3

DOS

IR

Vibrations