Geometry & MOs

Info

ID:

192505

PubChem CID:

78278374

Reduced:

NO3C10H14 (1)

Stoich.:

AB3C10D14 (1)

Weight, g/mol:

231.10933

ΔHf, kcal/mol:

-55.08

Dipole, Da:

18.78

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.770850

Charge, e:

 -1

Chem-info

IUPAC name:

2,6-bis(carbamoylamino)hexanoate

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C=CC(=O)[O-]

DOS

IR

Vibrations