Geometry & MOs

Info

ID:	203565
PubChem CID:	79846481
Reduced:	ON3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	46.38
Dipole, Da:	2.58
IP(EA), eV:	-9.56(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(1-aminocyclobutyl)methyl]-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1CC(C1)(CC2=NC(=NO2)C3=CC=CC=C3)N

DOS

IR

Vibrations