Geometry & MOs

Info

ID:	185454
PubChem CID:	77301969
Reduced:	N5C21H25 (1)
Stoich.:	A5B21C25 (1)
Weight, g/mol:	323.199762
ΔH_f, kcal/mol:	70.75
Dipole, Da:	2.65
IP(EA), eV:	-8.21(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(C2CCN1CC2)NC3=NC=C(C=N3)C4=CC5=C(C=C4)N(C=C5)C

DOS

IR

Vibrations