Geometry & MOs

Info

ID:	71577
PubChem CID:	48415066
Reduced:	FNOC8H9 (2)
Stoich.:	ABCD8E9 (2)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	-110.91
Dipole, Da:	1.35
IP(EA), eV:	-9.0(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC(=CC=C2)OC(F)F

DOS

IR

Vibrations