Geometry & MOs

Info

ID:	24211
PubChem CID:	608440
Reduced:	NO4C17H21 (1)
Stoich.:	AB4C17D21 (1)
Weight, g/mol:	303.147058
ΔH_f, kcal/mol:	-171.24
Dipole, Da:	10.97
IP(EA), eV:	-8.87(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(OC(=O)C(=C2C=CN(C=C2)C3CCCCC3)C(=O)O1)C

DOS

IR

Vibrations