Geometry & MOs

Info

ID:	441229
PubChem CID:	135233731
Reduced:	NH23C26 (1)
Stoich.:	AB23C26 (1)
Weight, g/mol:	574.340673
ΔH_f, kcal/mol:	92.27
Dipole, Da:	2.18
IP(EA), eV:	-8.2(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(2E)-2-[(E)-3-[1-(4-ethoxy-4-oxobutyl)-2-hydroxy-3,3-dimethylindol-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]butanoate

Drug info:

PubChemData

Smile

CN(C)C1=CC(=CC(=C1)C2=CC=CC(=C2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations