Geometry & MOs

Info

ID:	71774
PubChem CID:	48415365
Reduced:	FON4C20H23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	370.156039
ΔH_f, kcal/mol:	26.54
Dipole, Da:	1.52
IP(EA), eV:	-9.08(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]methanone

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations