Geometry & MOs

Info

ID:	71296
PubChem CID:	48414586
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	338.043
ΔH_f, kcal/mol:	-23.87
Dipole, Da:	3.45
IP(EA), eV:	-8.86(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-5-fluorophenyl)-(4-but-3-ynylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NCCC(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations