Geometry & MOs

Info

ID:	334643
PubChem CID:	127253318
Reduced:	ON3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	450.155764
ΔH_f, kcal/mol:	3.01
Dipole, Da:	7.57
IP(EA), eV:	-8.44(-0.02)
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-morpholin-4-ylethylamino)spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

C1CN(CC2=C1NC3=CC=CC=C23)C(=O)CCCCCN4C=CC=C4

DOS

IR

Vibrations