Geometry & MOs

Info

ID:	185456
PubChem CID:	77302034
Reduced:	N2O3H6C9 (1)
Stoich.:	A2B3C6D9 (1)
Weight, g/mol:	313.161269
ΔH_f, kcal/mol:	34.21
Dipole, Da:	10.51
IP(EA), eV:	-10.48(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[6-(4-methylthiophen-3-yl)pyridin-3-yl]-1-azabicyclo[2.2.2]octan-3-amine

Drug info:

PubChemData

Smile

C1=CC2C=CC(=O)C(=C2N=C1)[N+](=O)[O-]

DOS

IR

Vibrations