Geometry & MOs

Info

ID:	294795
PubChem CID:	117495868
Reduced:	BrN2O3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	311.05605
ΔH_f, kcal/mol:	-23.02
Dipole, Da:	2.49
IP(EA), eV:	-9.18(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1COC2=C(C(=C(C=C2)Br)C3=CC(=NO3)N)OC1

DOS

IR

Vibrations