Geometry & MOs

Info

ID:

393947

PubChem CID:

135022036

Reduced:

CH2N3 (1)

Stoich.:

AB2C3 (1)

Weight, g/mol:

252.172545

ΔHf, kcal/mol:

90.33

Dipole, Da:

2.33

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.872951

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,7S,8S,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-ene-7,10-diol

Drug info:

PubChemData

Smile

[CH2-]N=[N+]=[N-]

DOS

IR

Vibrations