Geometry & MOs

Info

ID:	172998
PubChem CID:	75581751
Reduced:	BrClON3C20H21 (1)
Stoich.:	ABCD3E20F21 (1)
Weight, g/mol:	419.07639
ΔH_f, kcal/mol:	-6.81
Dipole, Da:	3.6
IP(EA), eV:	-9.26(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-[[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CN1C2CCC1C(C(C2)C3=CC=C(C=C3)Cl)C(=O)NC4=NC(=CC=C4)Br

DOS

IR

Vibrations