Geometry & MOs

Info

ID:	243332
PubChem CID:	99218516
Reduced:	ON2F3H19C21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	455.08445
ΔH_f, kcal/mol:	-115.32
Dipole, Da:	1.15
IP(EA), eV:	-8.72(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-bromophenyl)oxan-4-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

Drug info:

PubChemData

Smile

C1CC1N(CC(F)(F)F)C(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC=C4

DOS

IR

Vibrations