Geometry & MOs

Info

ID:	287778
PubChem CID:	104294331
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	296.9749
ΔH_f, kcal/mol:	-14.62
Dipole, Da:	5.85
IP(EA), eV:	-9.18(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(3-methyl-5-nitrophenyl)-1,2-oxazol-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=CO2)CNC(C)(C)C

DOS

IR

Vibrations