Geometry & MOs

Info

ID:	71363
PubChem CID:	48414687
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	328.054547
ΔH_f, kcal/mol:	29.61
Dipole, Da:	2.62
IP(EA), eV:	-9.02(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations