Geometry & MOs

Info

ID:	180703
PubChem CID:	76671669
Reduced:	Cl2N2O3H26C28 (1)
Stoich.:	A2B2C3D26E28 (1)
Weight, g/mol:	472.216221
ΔH_f, kcal/mol:	-10.43
Dipole, Da:	3.03
IP(EA), eV:	-9.39(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-[4-[1-(2-methylphenyl)-3-(2-methylpiperidin-4-ylidene)-3-nitrosopropyl]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(CC(=C2CC(NC(C2)Cl)Cl)N=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations