Geometry & MOs

Info

ID:	58652
PubChem CID:	24712399
Reduced:	FN2O3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	345.124405
ΔH_f, kcal/mol:	-125.93
Dipole, Da:	4.7
IP(EA), eV:	-9.26(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-chlorophenyl)methyl-cyclopropylamino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)N(CC1=CC=CC=C1F)CC2=NC(=CO2)C(=O)O

DOS

IR

Vibrations