Geometry & MOs

Info

ID:	150551
PubChem CID:	53790244
Reduced:	ClN2O4H7C9 (1)
Stoich.:	AB2C4D7E9 (1)
Weight, g/mol:	498.111313
ΔH_f, kcal/mol:	-84.08
Dipole, Da:	6.92
IP(EA), eV:	-9.74(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-[[2-(2,4-dichlorophenoxy)acetyl]-methylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C(=C1)Cl)C(=O)C(=O)N2NO

DOS

IR

Vibrations