Geometry & MOs

Info

ID:

173871

PubChem CID:

75692161

Reduced:

NSC12H22 (1)

Stoich.:

ABC12D22 (1)

Weight, g/mol:

203.033091

ΔHf, kcal/mol:

-8.21

Dipole, Da:

4.61

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.759835

Charge, e:

0

Chem-info

IUPAC name:

8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,10,12-tetraene-4,6-dione

Drug info:

PubChemData

Smile

C1CCC2CC3(CCC2C1)[NH2+]CCS3

DOS

IR

Vibrations