Geometry & MOs

Info

ID:	71248
PubChem CID:	48414518
Reduced:	FO2N3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	405.101082
ΔH_f, kcal/mol:	-27.93
Dipole, Da:	2.31
IP(EA), eV:	-8.97(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propan-1-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCC2=NC=C(O2)C3=CC=C(C=C3)F

DOS

IR

Vibrations