Geometry & MOs

Info

ID:	64617
PubChem CID:	29203307
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	428.09736
ΔH_f, kcal/mol:	-95.6
Dipole, Da:	5.63
IP(EA), eV:	-8.52(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NCC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2

DOS

IR

Vibrations