Geometry & MOs

Info

ID:	71568
PubChem CID:	48415056
Reduced:	ClON4C20H23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	58.55
Dipole, Da:	2.62
IP(EA), eV:	-8.94(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)CCC#C)C)Cl

DOS

IR

Vibrations