Geometry & MOs

Info

ID:	423812
PubChem CID:	135120326
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	339.091829
ΔH_f, kcal/mol:	-6.05
Dipole, Da:	1.92
IP(EA), eV:	-8.69(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[3-(2,4-difluorophenyl)propanoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

COC1=CN=C(N=C1)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations