Geometry & MOs

Info

ID:	61112
PubChem CID:	26705766
Reduced:	ON3C9H9 (2)
Stoich.:	AB3C9D9 (2)
Weight, g/mol:	390.114648
ΔH_f, kcal/mol:	29.63
Dipole, Da:	13.72
IP(EA), eV:	-9.04(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-chloro-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NCCC(=O)NC2=CC=C(C=C2)N3C=NN=N3

DOS

IR

Vibrations