Geometry & MOs

Info

ID:	295079
PubChem CID:	117515675
Reduced:	BrON2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	340.98989
ΔH_f, kcal/mol:	-33.69
Dipole, Da:	5.37
IP(EA), eV:	-8.64(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromo-3,6-dimethoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)OC)Br)CCN2CCNCC2

DOS

IR

Vibrations