Geometry & MOs

Info

ID:	414743
PubChem CID:	135087704
Reduced:	ON5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	310.035649
ΔH_f, kcal/mol:	21.88
Dipole, Da:	4.48
IP(EA), eV:	-9.09(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NC2=NC=CC(=N2)N)CC3=CC=NC=C3

DOS

IR

Vibrations