Geometry & MOs

Info

ID:	166580
PubChem CID:	74712233
Reduced:	BrNO3C24H28 (1)
Stoich.:	ABC3D24E28 (1)
Weight, g/mol:	455.069114
ΔH_f, kcal/mol:	-107.73
Dipole, Da:	3.25
IP(EA), eV:	-8.82(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC2=NC3=C(C(C2C(=O)C1)C4=CC(=C(C=C4)OC)Br)C(=O)CC(C3)(C)C)C

DOS

IR

Vibrations