Geometry & MOs

Info

ID:	58647
PubChem CID:	24712392
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	320.153621
ΔH_f, kcal/mol:	-84.54
Dipole, Da:	5.88
IP(EA), eV:	-8.85(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-fluorophenyl)methyl-(3-methylbutan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN(CC2CC2)CC3=NC(=CO3)C(=O)O

DOS

IR

Vibrations