Geometry & MOs

Info

ID:	445871
PubChem CID:	135269848
Reduced:	O2F3N5H16C20 (1)
Stoich.:	A2B3C5D16E20 (1)
Weight, g/mol:	415.125609
ΔH_f, kcal/mol:	-105.47
Dipole, Da:	1.37
IP(EA), eV:	-8.87(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methyl-5-phenyl-2H-1,3,4-oxadiazol-2-yl)-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine

Drug info:

PubChemData

Smile

CC1CC(=CC=C1)C2=NN=C(O2)C3=NC(=CN=C3N)C4=CC(=CC=C4)OC(F)(F)F

DOS

IR

Vibrations