Geometry & MOs

Info

ID:	71315
PubChem CID:	48414611
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	294.093519
ΔH_f, kcal/mol:	43.52
Dipole, Da:	8.81
IP(EA), eV:	-8.58(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations