Geometry & MOs

Info

ID:	19971
PubChem CID:	576126
Reduced:	NO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	247.084458
ΔH_f, kcal/mol:	-148.71
Dipole, Da:	4.87
IP(EA), eV:	-9.52(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(anilinomethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

Drug info:

PubChemData

Smile

CC1(OC(=O)C(=CNC2=CC=CC=C2)C(=O)O1)C

DOS

IR

Vibrations