Geometry & MOs

Info

ID:	71134
PubChem CID:	48414341
Reduced:	FN3O4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	412.179835
ΔH_f, kcal/mol:	-163.57
Dipole, Da:	4.48
IP(EA), eV:	-8.95(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CN2CCOCC2)NC(=O)CNC(=O)C3=CC=CC=C3F

DOS

IR

Vibrations