Geometry & MOs

Info

ID:	18400
PubChem CID:	540356
Reduced:	NO4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	327.147058
ΔH_f, kcal/mol:	-141.62
Dipole, Da:	6.93
IP(EA), eV:	-8.7(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-5-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-1,3-dioxane-4,6-dione

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C1=CC=C3C(=O)OC(OC3=O)(C)C)C)C

DOS

IR

Vibrations