Geometry & MOs

Info

ID:	441805
PubChem CID:	135245044
Reduced:	N4O4H20C25 (1)
Stoich.:	A4B4C20D25 (1)
Weight, g/mol:	256.050237
ΔH_f, kcal/mol:	-11.9
Dipole, Da:	6.14
IP(EA), eV:	-9.29(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-chloro-5-hydroxy-3-methyl-2,3-dihydro-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CC1C(OC2=C1C=C(C=C2)OC3=C4CCC(=O)NC4=NC=C3)C5=NC(=NO5)C6=CC=CC=C6

DOS

IR

Vibrations