Geometry & MOs

Info

ID:	166581
PubChem CID:	74712234
Reduced:	NCl2O4H19C24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	437.162708
ΔH_f, kcal/mol:	-69.65
Dipole, Da:	4.18
IP(EA), eV:	-9.4(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=C(C(C1C(=O)OC)C3=CC(=C(C(=C3)Cl)OCC=C)Cl)C(=O)C4=CC=CC=C42

DOS

IR

Vibrations