Geometry & MOs

Info

ID:	71644
PubChem CID:	48415150
Reduced:	FN2O2C17H21 (1)
Stoich.:	AB2C2D17E21 (1)
Weight, g/mol:	306.173213
ΔH_f, kcal/mol:	-57.17
Dipole, Da:	2.89
IP(EA), eV:	-8.98(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CCC#C)OC2=CC=C(C=C2)F

DOS

IR

Vibrations