Geometry & MOs

Info

ID:	71750
PubChem CID:	48415317
Reduced:	FON4C18H19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	39.2
Dipole, Da:	3.96
IP(EA), eV:	-8.79(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethyl]furan-3-carboxamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=NN(C=C2)C3=CC=C(C=C3)F

DOS

IR

Vibrations