Geometry & MOs

Info

ID:	426258
PubChem CID:	135142955
Reduced:	ON6C15H16 (1)
Stoich.:	AB6C15D16 (1)
Weight, g/mol:	483.238273
ΔH_f, kcal/mol:	56.44
Dipole, Da:	4.52
IP(EA), eV:	-8.49(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(4-hydroxy-4-pyridin-2-ylpiperidine-1-carbonyl)-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

CC(C)(CN1C=C(C=N1)C2=NC3=C4C=CNC4=NC=C3N2)O

DOS

IR

Vibrations