Geometry & MOs

Info

ID:	426247
PubChem CID:	135142932
Reduced:	ON6C21H28 (1)
Stoich.:	AB6C21D28 (1)
Weight, g/mol:	380.196074
ΔH_f, kcal/mol:	8.13
Dipole, Da:	3.23
IP(EA), eV:	-8.64(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-(cyanomethyl)cyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]-N-(2-hydroxyethyl)acetamide

Drug info:

PubChemData

Smile

CN1C(=NC2=CN=C3C(=C21)C=CN3)CC(=O)N4CCC(CC4)N5CCCCC5

DOS

IR

Vibrations