Geometry & MOs

Info

ID:	85683
PubChem CID:	49878055
Reduced:	NO3C13H13 (2)
Stoich.:	AB3C13D13 (2)
Weight, g/mol:	476.194737
ΔH_f, kcal/mol:	-170.09
Dipole, Da:	10.42
IP(EA), eV:	-8.88(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4'Z)-4'-[(4-ethoxyphenyl)-hydroxymethylidene]-1'-(3-methoxypropyl)-1-prop-2-enylspiro[indole-3,5'-pyrrolidine]-2,2',3'-trione

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C=CC(=C2)/C(=C\3/C(=O)C(=O)N(C34C5=CC=CC=C5N(C4=O)C)CCCOC)/O

DOS

IR

Vibrations