Geometry & MOs

Info

ID:	371386
PubChem CID:	127346102
Reduced:	O2N3C15H15 (1)
Stoich.:	A2B3C15D15 (1)
Weight, g/mol:	359.163377
ΔH_f, kcal/mol:	1.05
Dipole, Da:	1.08
IP(EA), eV:	-9.5(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=NN=C(O1)CC(=O)N2C3CCC2C4=CC=CC=C34

DOS

IR

Vibrations