Geometry & MOs

Info

ID:	177355
PubChem CID:	76172556
Reduced:	NOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	431.230788
ΔH_f, kcal/mol:	-46.34
Dipole, Da:	3.93
IP(EA), eV:	-9.22(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)-3-[(2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)methyl]-1,4-dihydroxypyridin-2-one

Drug info:

PubChemData

Smile

C1C(C(NNC1=O)C2=CC=CC=C2)O

DOS

IR

Vibrations