Geometry & MOs

Info

ID:	446352
PubChem CID:	135274286
Reduced:	BrNOH8C17 (1)
Stoich.:	ABCD8E17 (1)
Weight, g/mol:	364.153541
ΔH_f, kcal/mol:	63.48
Dipole, Da:	3.77
IP(EA), eV:	-8.83(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC3=C2C(=C1)C4=C(O3)C=C(C=C4)Br)C#N

DOS

IR

Vibrations