Geometry & MOs

Info

ID:

382471

PubChem CID:

134973662

Reduced:

CNH2 (5)

Stoich.:

ABC2 (5)

Weight, g/mol:

224.141244

ΔHf, kcal/mol:

89.13

Dipole, Da:

8.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.838508

Charge, e:

 0

Chem-info

IUPAC name:

methyl (Z,5R)-5-hydroxydodec-2-en-6-ynoate

Drug info:

PubChemData

Smile

C1CC(NC1)C2=NN=N[NH2+]2

DOS

IR

Vibrations