Geometry & MOs

Info

ID:	136861
PubChem CID:	52114513
Reduced:	O2F3N5C23H32 (1)
Stoich.:	A2B3C5D23E32 (1)
Weight, g/mol:	465.23516
ΔH_f, kcal/mol:	-149.85
Dipole, Da:	32.6
IP(EA), eV:	-6.14(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC[NH+](CC1)CCNC(=O)C2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations