Geometry & MOs

Info

ID:	18711
PubChem CID:	546812
Reduced:	ClNO3C17H20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	321.113171
ΔH_f, kcal/mol:	-104.25
Dipole, Da:	2.05
IP(EA), eV:	-9.16(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(tert-butyliminomethyl)-4-chloro-2-methyl-1-benzofuran-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)C=NC(C)(C)C)Cl)C

DOS

IR

Vibrations