Geometry & MOs

Info

ID:	127924
PubChem CID:	51023176
Reduced:	ClNO4C8H12 (1)
Stoich.:	ABC4D8E12 (1)
Weight, g/mol:	185.068808
ΔH_f, kcal/mol:	-197.41
Dipole, Da:	9.47
IP(EA), eV:	-11.35(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4S)-7-azabicyclo[2.2.1]heptane-1,2-dicarboxylic acid

Drug info:

PubChemData

Smile

C1C[C@]2([C@H](C[C@H]1[NH2+]2)C(=O)O)C(=O)O.[Cl-]

DOS

IR

Vibrations