Geometry & MOs

Info

ID:	416979
PubChem CID:	135090951
Reduced:	O3N4C15H18 (1)
Stoich.:	A3B4C15D18 (1)
Weight, g/mol:	390.179087
ΔH_f, kcal/mol:	-77.13
Dipole, Da:	2.84
IP(EA), eV:	-10.01(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C1CC(=O)NN=C1C(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations