Geometry & MOs

Info

ID:	174532
PubChem CID:	75779725
Reduced:	BrSN3O3C23H24 (1)
Stoich.:	ABC3D3E23F24 (1)
Weight, g/mol:	495.11575
ΔH_f, kcal/mol:	-18.97
Dipole, Da:	4.27
IP(EA), eV:	-8.63(-0.92)
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]-3-phenylprop-2-en-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=CS4

DOS

IR

Vibrations