Geometry & MOs

Info

ID:	125424
PubChem CID:	50923869
Reduced:	CrC6O10H11 (2)
Stoich.:	AB6C10D11 (2)
Weight, g/mol:	375.174691
ΔH_f, kcal/mol:	-880.86
Dipole, Da:	16.25
IP(EA), eV:	-7.29(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-1,2,3,7-tetrahydroindolo[2,3-c][1,8]naphthyridine

Drug info:

PubChemData

Smile

C(C(C(=O)[O-])O)C(=O)[O-].C(C(C(=O)[O-])O)C(=O)[O-].C(C(C(=O)[O-])O)C(=O)[O-].O.O.O.O.O.[Cr+3].[Cr+3]

DOS

IR

Vibrations