Geometry & MOs

Info

ID:	73643
PubChem CID:	48419585
Reduced:	N3O3H19C20 (1)
Stoich.:	A3B3C19D20 (1)
Weight, g/mol:	413.02542
ΔH_f, kcal/mol:	-67.24
Dipole, Da:	2.81
IP(EA), eV:	-8.54(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-3-(5-chloro-3-methyl-1,2-oxazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C)NC(=O)C2=CC3=CC=CC=C3C(=N2)OC

DOS

IR

Vibrations