Geometry & MOs

Info

ID:	295061
PubChem CID:	117513889
Reduced:	BrNO4H12C14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	336.99497
ΔH_f, kcal/mol:	-74.78
Dipole, Da:	3.7
IP(EA), eV:	-9.8(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromo-2-cyclopropyloxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1COCC1C2=C(C=C(C=C2)C3=NOC(=C3)C(=O)O)Br

DOS

IR

Vibrations