Geometry & MOs

Info

ID:	295193
PubChem CID:	117520967
Reduced:	BrNO4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	387.01062
ΔH_f, kcal/mol:	-151.24
Dipole, Da:	3.5
IP(EA), eV:	-8.68(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-5-methyl-4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C2CC(CN2)C(=O)O)Br)OC3CCCC3

DOS

IR

Vibrations