Geometry & MOs

Info

ID:	142114
PubChem CID:	52984160
Reduced:	BrNO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	463.06622
ΔH_f, kcal/mol:	-114.04
Dipole, Da:	0.82
IP(EA), eV:	-9.28(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone;hydrochloride

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)C(=O)OC)Br

DOS

IR

Vibrations