Geometry & MOs

Info

ID:	365975
PubChem CID:	127319265
Reduced:	ON2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	347.124547
ΔH_f, kcal/mol:	22.81
Dipole, Da:	1.82
IP(EA), eV:	-9.43(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-isoquinolin-1-yl-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)C2=NC(=NO2)C3=NC=CC4=CC=CC=C43

DOS

IR

Vibrations