Geometry & MOs

Info

ID:	406948
PubChem CID:	135078965
Reduced:	NO4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	273.100108
ΔH_f, kcal/mol:	-118.22
Dipole, Da:	2.67
IP(EA), eV:	-9.72(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1H-indol-4-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](N1C(=O)OCC2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations