Geometry & MOs

Info

ID:	71707
PubChem CID:	48415241
Reduced:	BrFON2C15H16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-8.05
Dipole, Da:	3.03
IP(EA), eV:	-9.06(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(4,6,7-trimethoxy-1H-indol-2-yl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations