Geometry & MOs

Info

ID:	406333
PubChem CID:	135077257
Reduced:	BrNO3C17H18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	323.152144
ΔH_f, kcal/mol:	-97.22
Dipole, Da:	5.6
IP(EA), eV:	-9.77(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=NC2=CC=CC=C21)Br)C(=O)C(C)(C)C

DOS

IR

Vibrations