Geometry & MOs

Info

ID:	25215
PubChem CID:	620973
Reduced:	BrN3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-29.29
Dipole, Da:	6.86
IP(EA), eV:	-9.51(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)C2=CC=C(C=C2)Br)C3=NC(=O)C(O3)C4=CC=CC=C4

DOS

IR

Vibrations