Geometry & MOs

Info

ID:	426211
PubChem CID:	135142682
Reduced:	ON3C11H13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	285.122575
ΔH_f, kcal/mol:	-13.6
Dipole, Da:	2.36
IP(EA), eV:	-9.05(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CCC1CC#N)N2C3=C4C=CNC4=NC=C3N=C2C(=O)NC5CCOCC5

DOS

IR

Vibrations