Geometry & MOs

Info

ID:	136579
PubChem CID:	52067544
Reduced:	O2F3N6C24H24 (1)
Stoich.:	A2B3C6D24E24 (1)
Weight, g/mol:	484.183458
ΔH_f, kcal/mol:	-80.81
Dipole, Da:	3.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.949999
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]indazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)NC3CC[NH+](CC3)CC4=NC(=NO4)C5=CC(=CC=C5)C(F)(F)F

DOS

IR

Vibrations