Geometry & MOs

Info

ID:	175759
PubChem CID:	75943728
Reduced:	F2N3O3C22H26 (1)
Stoich.:	A2B3C3D22E26 (1)
Weight, g/mol:	456.216141
ΔH_f, kcal/mol:	-169.88
Dipole, Da:	4.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.979466
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(CNC(=O)C2CC(=O)N(C2)C3=CC(=CC(=C3)F)F)[NH+]4CCCC4

DOS

IR

Vibrations