Geometry & MOs

Info

ID:	346913
PubChem CID:	127271417
Reduced:	O3N6C18H22 (1)
Stoich.:	A3B6C18D22 (1)
Weight, g/mol:	341.185175
ΔH_f, kcal/mol:	-17.08
Dipole, Da:	5.57
IP(EA), eV:	-9.54(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CC1NC(=O)NC(=O)CN2CCC(CC2)C3=NC(=NO3)C4=CC=CC=N4

DOS

IR

Vibrations