Geometry & MOs

Info

ID:	71217
PubChem CID:	48414467
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	326.154289
ΔH_f, kcal/mol:	-4.47
Dipole, Da:	2.62
IP(EA), eV:	-8.49(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N(C1=O)CCC(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations