Geometry & MOs

Info

ID:	71700
PubChem CID:	48415232
Reduced:	ClION2C15H16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	360.04734
ΔH_f, kcal/mol:	45.13
Dipole, Da:	3.51
IP(EA), eV:	-9.06(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-bromo-1-benzofuran-2-yl)-(4-but-3-ynylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)I

DOS

IR

Vibrations