Geometry & MOs

Info

ID:	399959
PubChem CID:	135044206
Reduced:	NO3C8H16 (1)
Stoich.:	AB3C8D16 (1)
Weight, g/mol:	202.09938
ΔH_f, kcal/mol:	-117.89
Dipole, Da:	4.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754647
Charge, e:	0

Chem-info

IUPAC name:

(1R,9S)-tricyclo[7.2.2.02,7]trideca-2,4,6,12-tetraene-9,10-diol

Drug info:

PubChemData

Smile

C1C[NH+]2C[C@@H]([C@@H]([C@@H]2[C@@H]1O)CO)O

DOS

IR

Vibrations