Geometry & MOs

Info

ID:	71571
PubChem CID:	48415059
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	292.157563
ΔH_f, kcal/mol:	-0.89
Dipole, Da:	2.72
IP(EA), eV:	-8.93(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)COC2=CC=CC=C2

DOS

IR

Vibrations