Geometry & MOs

Info

ID:	158362
PubChem CID:	56463511
Reduced:	BrN3O3C18H22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	419.145676
ΔH_f, kcal/mol:	-37.41
Dipole, Da:	2.7
IP(EA), eV:	-9.32(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)C(C)OC3=CC=C(C=C3)Br

DOS

IR

Vibrations