Geometry & MOs

Info

ID:	426244
PubChem CID:	135142925
Reduced:	ON3C10H11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	412.168145
ΔH_f, kcal/mol:	16.53
Dipole, Da:	3.12
IP(EA), eV:	-9.14(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(1-methylsulfonylazetidin-3-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]cyclohexyl]acetonitrile

Drug info:

PubChemData

Smile

C1CC(CCC1CC#N)N2C3=C4C=CNC4=NC=C3N=C2C(=O)NC5COC5

DOS

IR

Vibrations