Geometry & MOs

Info

ID:	136578
PubChem CID:	52067543
Reduced:	O2F3N5H20C23 (1)
Stoich.:	A2B3C5D20E23 (1)
Weight, g/mol:	485.191284
ΔH_f, kcal/mol:	-97.09
Dipole, Da:	7.6
IP(EA), eV:	-9.71(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=CC=CC(=C2)C#N)CC3=NC(=NO3)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations