Geometry & MOs

Info

ID:	71688
PubChem CID:	48415206
Reduced:	OSN2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	388.189926
ΔH_f, kcal/mol:	30.13
Dipole, Da:	2.37
IP(EA), eV:	-8.88(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CCC#C)SC2=CC=CC=C2

DOS

IR

Vibrations