Geometry & MOs

Info

ID:	312828
PubChem CID:	126608989
Reduced:	O2F3N4C23H23 (1)
Stoich.:	A2B3C4D23E23 (1)
Weight, g/mol:	446.167808
ΔH_f, kcal/mol:	-154.79
Dipole, Da:	9.29
IP(EA), eV:	-9.03(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCN(CC3)CC4=CC=CC=N4

DOS

IR

Vibrations