Geometry & MOs

Info

ID:	71475
PubChem CID:	48414932
Reduced:	OF3N4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	359.166748
ΔH_f, kcal/mol:	-88.22
Dipole, Da:	4.07
IP(EA), eV:	-8.84(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations