Geometry & MOs

Info

ID:	140139
PubChem CID:	52653292
Reduced:	ClN3O3C23H30 (1)
Stoich.:	AB3C3D23E30 (1)
Weight, g/mol:	458.03898
ΔH_f, kcal/mol:	-92.06
Dipole, Da:	9.37
IP(EA), eV:	-8.54(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4-fluorophenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CNC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)Cl)OC

DOS

IR

Vibrations