Geometry & MOs

Info

ID:	121418
PubChem CID:	50767283
Reduced:	ClO2N3H14C17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	434.175419
ΔH_f, kcal/mol:	14.57
Dipole, Da:	7.17
IP(EA), eV:	-9.17(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(4-fluorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations