Geometry & MOs

Info

ID:	421144
PubChem CID:	135115442
Reduced:	ClON5C13H18 (1)
Stoich.:	ABC5D13E18 (1)
Weight, g/mol:	344.173607
ΔH_f, kcal/mol:	-6.2
Dipole, Da:	3.71
IP(EA), eV:	-9.18(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=O)NCCCC2=NC=CN2)C)Cl

DOS

IR

Vibrations