Geometry & MOs

Info

ID:	122408
PubChem CID:	50805433
Reduced:	FN2O2H19C20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	427.06439
ΔH_f, kcal/mol:	-47.36
Dipole, Da:	2.91
IP(EA), eV:	-9.05(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)C2=C(ON=C2C3=CC(=CC=C3)F)C)C

DOS

IR

Vibrations