Geometry & MOs

Info

ID:	146199
PubChem CID:	53649872
Reduced:	NO2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	322.211724
ΔH_f, kcal/mol:	-189.02
Dipole, Da:	6.28
IP(EA), eV:	-9.26(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(4-methoxycyclohexyl)diazenyl]-2,3,3a,4,5,5a,6,8,8a,8b-decahydro-1H-pyrrolo[3,2-e]benzotriazol-7-one

Drug info:

PubChemData

Smile

CN1C2C(CCC1=O)C[C@H]([C@H]3N2C[C@H]([C@H]3O)O)O

DOS

IR

Vibrations