Geometry & MOs

Info

ID:	287932
PubChem CID:	104300360
Reduced:	BrSN3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	266.00548
ΔH_f, kcal/mol:	85.74
Dipole, Da:	2.69
IP(EA), eV:	-9.38(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NN=C(S2)CNC3CC3)Br

DOS

IR

Vibrations