Geometry & MOs

Info

ID:

400480

PubChem CID:

135048055

Reduced:

NOC12H16 (1)

Stoich.:

ABC12D16 (1)

Weight, g/mol:

456.131581

ΔHf, kcal/mol:

3.4

Dipole, Da:

0.38

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.944748

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C]1[CH][CH][C]([CH]1)C2=N[C@H](CO2)C(C)C

DOS

IR

Vibrations