Geometry & MOs

Info

ID:

230893

PubChem CID:

87572213

Reduced:

N2C11H21 (1)

Stoich.:

A2B11C21 (1)

Weight, g/mol:

188.104859

ΔHf, kcal/mol:

4.32

Dipole, Da:

2.56

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.771577

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2,2-dihydroxyhept-6-enoate

Drug info:

PubChemData

Smile

CCCCN1C=C[N+](=C1)CC(C)C

DOS

IR

Vibrations