Geometry & MOs

Info

ID:	71220
PubChem CID:	48414473
Reduced:	ON5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	371.140055
ΔH_f, kcal/mol:	98.95
Dipole, Da:	3.21
IP(EA), eV:	-8.98(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)N4CCN(CC4)CCC#C)C

DOS

IR

Vibrations