Geometry & MOs

Info

ID:	417989
PubChem CID:	135103222
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	319.141973
ΔH_f, kcal/mol:	-41.82
Dipole, Da:	2.37
IP(EA), eV:	-8.52(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)N2CCC[C@@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations