Geometry & MOs

Info

ID:	334595
PubChem CID:	127253270
Reduced:	NO4H15C19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	434.16085
ΔH_f, kcal/mol:	-76.55
Dipole, Da:	3.64
IP(EA), eV:	-8.36(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-(2-pyrrolidin-1-ylethylamino)spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CN1C2=C(C3=C(C1=O)C(=C(C=C3)OC)OC)C(=O)C4=CC=CC=C42

DOS

IR

Vibrations