Geometry & MOs

Info

ID:	174534
PubChem CID:	75779727
Reduced:	BrN3O4C26H28 (1)
Stoich.:	AB3C4D26E28 (1)
Weight, g/mol:	497.1314
ΔH_f, kcal/mol:	-64.34
Dipole, Da:	5.51
IP(EA), eV:	-8.7(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-2-phenylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=C(C=CC(=C2)Br)OC)CN3CCN(CC3)C(=O)C=CC4=CC(=CC=C4)OC

DOS

IR

Vibrations