Geometry & MOs

Info

ID:	71539
PubChem CID:	48415016
Reduced:	OSBr2N2C13H14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	350.06299
ΔH_f, kcal/mol:	54.66
Dipole, Da:	3.11
IP(EA), eV:	-9.05(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC(=C(S2)Br)Br

DOS

IR

Vibrations