Geometry & MOs

Info

ID:	357344
PubChem CID:	127293977
Reduced:	O2N3C24H27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	337.103811
ΔH_f, kcal/mol:	-51.42
Dipole, Da:	4.07
IP(EA), eV:	-8.78(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azabicyclo[2.2.1]heptan-2-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone

Drug info:

PubChemData

Smile

C1CC2CN(C3=CC=CC=C3CN2C1)C(=O)CCC4CC5=CC=CC=C5NC4=O

DOS

IR

Vibrations