Geometry & MOs

Info

ID:	415066
PubChem CID:	135088052
Reduced:	ClN2O3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	279.085521
ΔH_f, kcal/mol:	-86.54
Dipole, Da:	5.58
IP(EA), eV:	-9.5(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-(2-pyrazol-1-ylacetyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)CCC3=CC(=NO3)Cl)OCC1

DOS

IR

Vibrations