Geometry & MOs

Info

ID:	334033
PubChem CID:	127252585
Reduced:	N2O4H16C19 (1)
Stoich.:	A2B4C16D19 (1)
Weight, g/mol:	408.1452
ΔH_f, kcal/mol:	-59.53
Dipole, Da:	3.62
IP(EA), eV:	-8.4(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[2-(dimethylamino)ethylamino]-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CNN1C2=C(C3=C(C1=O)C(=C(C=C3)OC)OC)C(=O)C4=CC=CC=C42

DOS

IR

Vibrations