Geometry & MOs

Info

ID:	68563
PubChem CID:	46508652
Reduced:	N3O3C27H31 (1)
Stoich.:	A3B3C27D31 (1)
Weight, g/mol:	480.17731
ΔH_f, kcal/mol:	-63.44
Dipole, Da:	6.18
IP(EA), eV:	-8.71(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)N(C)CC(=O)NCCC3=CC=C(C=C3)OC

DOS

IR

Vibrations