Geometry & MOs

Info

ID:	146491
PubChem CID:	53697173
Reduced:	Cl2O2N3H5C8 (1)
Stoich.:	A2B2C3D5E8 (1)
Weight, g/mol:	584.325023
ΔH_f, kcal/mol:	37.03
Dipole, Da:	8.44
IP(EA), eV:	-9.05(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-[6-[4-(4-cyclobutyloxyphenyl)butoxymethyl]pyridin-2-yl]ethenyl]anilino]-2,2-diethyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1C=NC2=C(C(=C(C=C2N1)Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations