Geometry & MOs

Info

ID:	71735
PubChem CID:	48415285
Reduced:	ON4C18H22 (1)
Stoich.:	AB4C18D22 (1)
Weight, g/mol:	342.120213
ΔH_f, kcal/mol:	58.91
Dipole, Da:	4.14
IP(EA), eV:	-9.17(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[5-(2-fluorophenyl)thiophen-2-yl]methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CCC#C)N2C=NC3=CC=CC=C32

DOS

IR

Vibrations