Geometry & MOs

Info

ID:	71509
PubChem CID:	48414976
Reduced:	ON4C23H24 (1)
Stoich.:	AB4C23D24 (1)
Weight, g/mol:	356.209993
ΔH_f, kcal/mol:	80.8
Dipole, Da:	7.19
IP(EA), eV:	-8.75(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)N4CCN(CC4)CCC#C

DOS

IR

Vibrations