Geometry & MOs

Info

ID:	261415
PubChem CID:	103232310
Reduced:	BrNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	309.9953
ΔH_f, kcal/mol:	-58.38
Dipole, Da:	3.39
IP(EA), eV:	-8.83(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-bromo-2-methylanilino)methyl]-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)N/C=C/C(=O)OC

DOS

IR

Vibrations