Geometry & MOs

Info

ID:	120726
PubChem CID:	50742268
Reduced:	NO4C32H47 (1)
Stoich.:	AB4C32D47 (1)
Weight, g/mol:	479.339944
ΔH_f, kcal/mol:	-179.93
Dipole, Da:	7.1
IP(EA), eV:	-8.45(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptadecyl (4Z)-4-(anilinomethylidene)-3-oxocyclohexa-1,5-diene-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCOC(=O)C1=CC(=O)/C(=C\NC2=CC=C(C=C2)OC)/C=C1

DOS

IR

Vibrations