Geometry & MOs

Info

ID:	146198
PubChem CID:	53649871
Reduced:	FNSO2C20H22 (1)
Stoich.:	ABCD2E20F22 (1)
Weight, g/mol:	256.142307
ΔH_f, kcal/mol:	-98.91
Dipole, Da:	3.84
IP(EA), eV:	-8.96(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,6aR,7S,8R)-6,7,8-trihydroxy-1-methyl-3,4,4a,5,6,6a,7,8,9,10a-decahydropyrrolo[1,2-a][1,8]naphthyridin-2-one

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC(=CC=C2)SCF)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations