Geometry & MOs

Info

ID:	136961
PubChem CID:	52130648
Reduced:	ClN2O3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	400.15537
ΔH_f, kcal/mol:	-60.43
Dipole, Da:	0.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.132130
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(4-chlorophenyl)-2-(diethylamino)ethyl]-5-methoxy-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC[NH+](CC)[C@@H](CNC(=O)C1=CC2=C(O1)C=CC(=C2)OC)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations