Geometry & MOs

Info

ID:	295653
PubChem CID:	117541506
Reduced:	BrN2O2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	-17.26
Dipole, Da:	4.89
IP(EA), eV:	-9.09(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-amino-5-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=C(OC(=N1)N)C2=CC=C(C=C2)Br

DOS

IR

Vibrations