Geometry & MOs

Info

ID:	71582
PubChem CID:	48415073
Reduced:	NOC11H11 (2)
Stoich.:	ABC11D11 (2)
Weight, g/mol:	310.03169
ΔH_f, kcal/mol:	25.31
Dipole, Da:	3.39
IP(EA), eV:	-8.74(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromofuran-2-yl)-(4-but-3-ynylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

DOS

IR

Vibrations