Geometry & MOs

Info

ID:	407647
PubChem CID:	135080397
Reduced:	NO3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	266.98949
ΔH_f, kcal/mol:	-130.68
Dipole, Da:	2.28
IP(EA), eV:	-9.37(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-5-methyl-2-phenyl-1,3-oxazol-4-one

Drug info:

PubChemData

Smile

CC1=NC=C(O1)CCCCOC2CCCCO2

DOS

IR

Vibrations