Geometry & MOs

Info

ID:	185453
PubChem CID:	77301743
Reduced:	FN2O2C12H21 (1)
Stoich.:	AB2C2D12E21 (1)
Weight, g/mol:	347.210996
ΔH_f, kcal/mol:	-126.55
Dipole, Da:	1.37
IP(EA), eV:	-9.48(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[5-(1-methylindol-5-yl)pyrimidin-2-yl]-1-azabicyclo[2.2.2]octan-3-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC12CC(C1CNC2)CF

DOS

IR

Vibrations