Geometry & MOs

Info

ID:	414884
PubChem CID:	135087856
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	279.121906
ΔH_f, kcal/mol:	-15.04
Dipole, Da:	5.76
IP(EA), eV:	-9.22(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-[(1,3-dimethylpyrazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C1CC2=C(C1)NN=C2C(=O)N3C[C@H]([C@@H](C3)O)CC4=CC=NC=C4

DOS

IR

Vibrations