Geometry & MOs

Info

ID:	234285
PubChem CID:	92298095
Reduced:	BrFNO2H11C17 (1)
Stoich.:	ABCD2E11F17 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-37.48
Dipole, Da:	2.11
IP(EA), eV:	-9.63(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(3-methylphenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=N/C(=C/C3=C(C=CC(=C3)Br)F)/C(=O)O2

DOS

IR

Vibrations