Geometry & MOs

Info

ID:	397909
PubChem CID:	135030948
Reduced:	BrO4C17H17 (1)
Stoich.:	AB4C17D17 (1)
Weight, g/mol:	323.199762
ΔH_f, kcal/mol:	-126.95
Dipole, Da:	4.89
IP(EA), eV:	-9.85(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-[(4S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanamine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C[C@@H]([C@@H]2[C@H]([C@@H]1C3=CC=CC=C3Br)C(=O)O2)C

DOS

IR

Vibrations