Geometry & MOs

Info

ID:	289518
PubChem CID:	104359441
Reduced:	BrClON2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	313.98215
ΔH_f, kcal/mol:	19.66
Dipole, Da:	2.85
IP(EA), eV:	-9.3(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(3-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CNCC1=C(OC=N1)C2=C(C(=CC=C2)Br)Cl

DOS

IR

Vibrations