Geometry & MOs

Info

ID:	71304
PubChem CID:	48414595
Reduced:	ClN2O2C17H17 (1)
Stoich.:	AB2C2D17E17 (1)
Weight, g/mol:	274.148141
ΔH_f, kcal/mol:	15.2
Dipole, Da:	3.04
IP(EA), eV:	-9.03(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(3-fluoro-4-methylphenyl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC3=C(O2)C=CC(=C3)Cl

DOS

IR

Vibrations