Geometry & MOs

Info

ID:	1073
PubChem CID:	3753
Reduced:	NO4H19C21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	349.131408
ΔH_f, kcal/mol:	-88.59
Dipole, Da:	2.73
IP(EA), eV:	-8.55(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dihydroxy-3-(1-methylindol-3-yl)-6-phenylcyclohexane-1,4-dione

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)C3C(C(=O)C(C(C3=O)O)C4=CC=CC=C4)O

DOS

IR

Vibrations