Geometry & MOs

Info

ID:	71617
PubChem CID:	48415116
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	308.152478
ΔH_f, kcal/mol:	-2.04
Dipole, Da:	4.24
IP(EA), eV:	-8.76(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations