Geometry & MOs

Info

ID:	71652
PubChem CID:	48415159
Reduced:	ClN2O3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	323.163377
ΔH_f, kcal/mol:	-63.79
Dipole, Da:	4.62
IP(EA), eV:	-8.81(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)CCC#C)OCC

DOS

IR

Vibrations