Geometry & MOs

Info

ID:	158711
PubChem CID:	56465168
Reduced:	O3N6C23H26 (1)
Stoich.:	A3B6C23D26 (1)
Weight, g/mol:	474.12665
ΔH_f, kcal/mol:	36.14
Dipole, Da:	3.79
IP(EA), eV:	-9.22(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)C3=CC(=NC4=C3C=NN4C(C)C)C5=CC=CO5

DOS

IR

Vibrations