Geometry & MOs

Info

ID:	426210
PubChem CID:	135142681
Reduced:	ON4C10H10 (1)
Stoich.:	AB4C10D10 (1)
Weight, g/mol:	406.211724
ΔH_f, kcal/mol:	32.92
Dipole, Da:	1.73
IP(EA), eV:	-8.74(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(cyanomethyl)cyclohexyl]-N-(oxan-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-4-carboxamide

Drug info:

PubChemData

Smile

COCC1=NC2=C3C=CNC3=NC=C2N1

DOS

IR

Vibrations