Geometry & MOs

Info

ID:	445230
PubChem CID:	135265254
Reduced:	OSN2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	345.241627
ΔH_f, kcal/mol:	1.66
Dipole, Da:	3.94
IP(EA), eV:	-8.74(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S,5S)-2-[2-amino-2-[(1R)-7-ethyl-3-hydroxy-3-methyl-1-bicyclo[3.3.1]nonanyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile

Drug info:

PubChemData

Smile

CC(COCC1=CN=CN1)CSCC2=CC=CC=C2

DOS

IR

Vibrations