Geometry & MOs

Info

ID:	18404
PubChem CID:	540451
Reduced:	NO4H17C18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	311.115758
ΔH_f, kcal/mol:	-114.93
Dipole, Da:	10.98
IP(EA), eV:	-8.41(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(OC(=O)C(=CC=C2C=CN(C3=CC=CC=C23)C)C(=O)O1)C

DOS

IR

Vibrations