Geometry & MOs

Info

ID:	174584
PubChem CID:	75788381
Reduced:	BrNSO5C21H22 (1)
Stoich.:	ABCD5E21F22 (1)
Weight, g/mol:	426.195486
ΔH_f, kcal/mol:	-133.39
Dipole, Da:	6.39
IP(EA), eV:	-9.45(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,5-dimethoxyphenyl)-2-piperidin-1-ylethyl]-7-fluoro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)OC(=C2)C(=O)N(CC3=CC=C(O3)Br)C4CCS(=O)(=O)C4

DOS

IR

Vibrations