Geometry & MOs

Info

ID:	85685
PubChem CID:	49878131
Reduced:	NO3C12H12 (2)
Stoich.:	AB3C12D12 (2)
Weight, g/mol:	490.210387
ΔH_f, kcal/mol:	-164.64
Dipole, Da:	11.87
IP(EA), eV:	-9.01(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4'Z)-4'-[(4-ethoxyphenyl)-hydroxymethylidene]-1'-(oxolan-2-ylmethyl)-1-propylspiro[indole-3,5'-pyrrolidine]-2,2',3'-trione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)/C(=C\2/C(=O)C(=O)N(C23C4=CC=CC=C4N(C3=O)C)CCOC)/O

DOS

IR

Vibrations