Geometry & MOs

Info

ID:	289523
PubChem CID:	104359447
Reduced:	BrClN2O2C13H14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	286.93487
ΔH_f, kcal/mol:	-20.65
Dipole, Da:	4.29
IP(EA), eV:	-9.32(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methanol

Drug info:

PubChemData

Smile

COCCNCC1=C(OC=N1)C2=C(C(=CC=C2)Br)Cl

DOS

IR

Vibrations