Geometry & MOs

Info

ID:	142211
PubChem CID:	53001355
Reduced:	N2O2C12H13 (2)
Stoich.:	A2B2C12D13 (2)
Weight, g/mol:	420.179755
ΔH_f, kcal/mol:	-75.98
Dipole, Da:	4.28
IP(EA), eV:	-8.87(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[5-[1-(2-phenoxyacetyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(=O)N2CCC(CC2)C3=NC(=NO3)C4=CC=C(C=C4)NC(=O)C

DOS

IR

Vibrations