Geometry & MOs

Info

ID:	258568
PubChem CID:	103155187
Reduced:	FN2O2C15H23 (1)
Stoich.:	AB2C2D15E23 (1)
Weight, g/mol:	279.169525
ΔH_f, kcal/mol:	-127.21
Dipole, Da:	4.17
IP(EA), eV:	-9.22(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CCN(C(C)C1=CC=C(C=C1)F)C(=O)CC(CN)OC

DOS

IR

Vibrations