Geometry & MOs

Info

ID:	71773
PubChem CID:	48415364
Reduced:	ON3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	354.18559
ΔH_f, kcal/mol:	23.36
Dipole, Da:	3.36
IP(EA), eV:	-8.42(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C2CC(=O)N3CCN(CC3)CCC#C)C

DOS

IR

Vibrations