Geometry & MOs

Info

ID:	71536
PubChem CID:	48415012
Reduced:	OF2N2C15H16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	-58.7
Dipole, Da:	3.01
IP(EA), eV:	-9.07(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-(2-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations