Geometry & MOs

Info

ID:

173415

PubChem CID:

75637044

Reduced:

NOC5H8 (3)

Stoich.:

ABC5D8 (3)

Weight, g/mol:

295.189592

ΔHf, kcal/mol:

-111.57

Dipole, Da:

13.6

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.770616

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxy-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1(CC2CC(C1)(CN2C(=O)C3CC(=O)NC(N3)[O-])C)C

DOS

IR

Vibrations