Geometry & MOs

Info

ID:	71597
PubChem CID:	48415090
Reduced:	ON3H23C24 (1)
Stoich.:	AB3C23D24 (1)
Weight, g/mol:	306.173213
ΔH_f, kcal/mol:	89.93
Dipole, Da:	3.75
IP(EA), eV:	-8.9(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-naphthalen-1-ylethanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

DOS

IR

Vibrations