Geometry & MOs

Info

ID:	136862
PubChem CID:	52114514
Reduced:	O2F3N5C23H30 (1)
Stoich.:	A2B3C5D23E30 (1)
Weight, g/mol:	468.222249
ΔH_f, kcal/mol:	-175.18
Dipole, Da:	3.54
IP(EA), eV:	-8.72(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)CCNC(=O)C2CCN(CC2)CC3=NC(=NO3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations