Geometry & MOs

Info

ID:	220499
PubChem CID:	85197616
Reduced:	NO2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	322.174001
ΔH_f, kcal/mol:	-77.57
Dipole, Da:	6.27
IP(EA), eV:	-10.5(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(6-aminohexylamino)-2,3,4,5-tetrahydroxy-6-oxohexanoate

Drug info:

PubChemData

Smile

CC12C3CCC4C1(C(CCC2CC(C3)[N+](=O)[O-])CC(C4)[N+](=O)[O-])C

DOS

IR

Vibrations