Geometry & MOs

Info

ID:	291693
PubChem CID:	113459740
Reduced:	ClNO4H12C13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	309.00006
ΔH_f, kcal/mol:	-117.94
Dipole, Da:	7.31
IP(EA), eV:	-9.36(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-methylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(OC(=N1)C2=C(C=CC(=C2)Cl)OC)C(=O)O

DOS

IR

Vibrations