Geometry & MOs

Info

ID:	156819
PubChem CID:	56394481
Reduced:	BrN2O2C23H27 (1)
Stoich.:	AB2C2D23E27 (1)
Weight, g/mol:	375.134969
ΔH_f, kcal/mol:	-36.18
Dipole, Da:	3.71
IP(EA), eV:	-8.32(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-propanoylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCC(CC2)NC(=O)C3(CCC3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations