Geometry & MOs

Info

ID:	393885
PubChem CID:	135021907
Reduced:	ON3C9H16 (1)
Stoich.:	AB3C9D16 (1)
Weight, g/mol:	183.137162
ΔH_f, kcal/mol:	-1.3
Dipole, Da:	3.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768633
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3aS,7aS)-2-(aminodiazenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-ol

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@@H](C1)C[C@@H]([C@H]2O)NN=[N-]

DOS

IR

Vibrations