Geometry & MOs

Info

ID:

177416

PubChem CID:

76183762

Reduced:

OYN2H8C10 (1)

Stoich.:

ABC2D8E10 (1)

Weight, g/mol:

184.109944

ΔHf, kcal/mol:

10.97

Dipole, Da:

5.14

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.125613

Charge, e:

 0

Chem-info

IUPAC name:

cyclohexyl 3-hydroxybut-2-enoate

Drug info:

PubChemData

Smile

C[N+]1=[C-]C(=NC2=CC=CC=C21)C=O.[Y+3]

DOS

IR

Vibrations