Geometry & MOs

Info

ID:	386612
PubChem CID:	134982325
Reduced:	FeOH16C19 (1)
Stoich.:	ABC16D19 (1)
Weight, g/mol:	469.210052
ΔH_f, kcal/mol:	229.18
Dipole, Da:	3.99
IP(EA), eV:	-7.4(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 4,5-dimethoxy-3-[[(2-phenylacetyl)amino]methyl]-2,3-dihydroindene-1,1-dicarboxylate

Drug info:

PubChemData

Smile

C1[C@H](C2=CC=CC=C2C1=O)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe]

DOS

IR

Vibrations