Geometry & MOs

Info

ID:

176692

PubChem CID:

76083058

Reduced:

ON4C20H23 (1)

Stoich.:

AB4C20D23 (1)

Weight, g/mol:

261.157623

ΔHf, kcal/mol:

104.78

Dipole, Da:

4.75

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.334961

Charge, e:

 0

Chem-info

IUPAC name:

2-[hydroxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CCN1C2C=CC=CC2=N[N+]1=CC(=O)C=CC3=CC=C(C=C3)N(C)C

DOS

IR

Vibrations