Geometry & MOs

Info

ID:	436745
PubChem CID:	135210184
Reduced:	P3O9C22H49 (1)
Stoich.:	A3B9C22D49 (1)
Weight, g/mol:	418.131742
ΔH_f, kcal/mol:	-643.09
Dipole, Da:	6.95
IP(EA), eV:	-9.7(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(hydroxymethyl)-1H-indol-3-yl]-4-(2-phenyl-1H-indol-3-yl)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CCC(C(CCCCC(C)P(=O)(OCC)OCC)P(=O)(OCC)OCC)P(=O)(OCC)OCC

DOS

IR

Vibrations