Geometry & MOs

Info

ID:	129111
PubChem CID:	51070732
Reduced:	FN3O6C27H30 (1)
Stoich.:	AB3C6D27E30 (1)
Weight, g/mol:	441.141259
ΔH_f, kcal/mol:	-193.69
Dipole, Da:	9.26
IP(EA), eV:	-8.71(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C2=CC(=NO2)C(=O)N(CCC(=O)NCC3=CC=C(C=C3)F)CC4CCCO4

DOS

IR

Vibrations