Geometry & MOs

Info

ID:	85168
PubChem CID:	49872189
Reduced:	FON5H20C23 (1)
Stoich.:	ABC5D20E23 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	51.99
Dipole, Da:	2.11
IP(EA), eV:	-9.16(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one

Drug info:

PubChemData

Smile

CCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2)C3=CC(=CC(=C3)C4=NNN=N4)F

DOS

IR

Vibrations