Geometry & MOs

Info

ID:	285553
PubChem CID:	104111759
Reduced:	N4C13H18 (1)
Stoich.:	A4B13C18 (1)
Weight, g/mol:	324.99497
ΔH_f, kcal/mol:	47.36
Dipole, Da:	5.39
IP(EA), eV:	-8.63(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-propan-2-ylphenoxy)-1,3-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(CC(C)NC1=NN=CC2=CC=CC=C21)N

DOS

IR

Vibrations