Geometry & MOs

Info

ID:	25214
PubChem CID:	620972
Reduced:	IN2H7C8 (1)
Stoich.:	AB2C7D8 (1)
Weight, g/mol:	441.0688
ΔH_f, kcal/mol:	55.93
Dipole, Da:	4.06
IP(EA), eV:	-9.03(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(4-bromophenyl)-2-oxoethyl]piperazin-1-yl]-5-phenyl-1,3-oxazol-4-one

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(C=C2)I

DOS

IR

Vibrations