Geometry & MOs

Info

ID:	71749
PubChem CID:	48415315
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	326.154289
ΔH_f, kcal/mol:	-51.3
Dipole, Da:	0.76
IP(EA), eV:	-9.04(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CNC(=O)C2CCCC2

DOS

IR

Vibrations