Geometry & MOs

Info

ID:	445935
PubChem CID:	135269964
Reduced:	O3N6C29H32 (1)
Stoich.:	A3B6C29D32 (1)
Weight, g/mol:	431.175753
ΔH_f, kcal/mol:	4.82
Dipole, Da:	2.59
IP(EA), eV:	-8.77(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-2-fluoroethenyl]-N,N-dimethyl-4-[6-(3-methyl-5-phenyl-2H-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide

Drug info:

PubChemData

Smile

C1COC[C@@H]1NCC2=CC=C(C=C2)C3=NN=C(O3)C4=NC(=CN=C4N)C5=CC=C(C=C5)CCC6CCOC6

DOS

IR

Vibrations