Geometry & MOs

Info

ID:	216374
PubChem CID:	85086122
Reduced:	O2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	260.173607
ΔH_f, kcal/mol:	75.3
Dipole, Da:	8.86
IP(EA), eV:	-8.36(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(ON=[N+]1CCCCC2=CC=CC=C2)N=N[O-]

DOS

IR

Vibrations