Geometry & MOs

Info

ID:	255311
PubChem CID:	103131310
Reduced:	BrFN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	262.215747
ΔH_f, kcal/mol:	13.07
Dipole, Da:	4.98
IP(EA), eV:	-9.22(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCCNC(C1=CC(=C(C=C1)F)Br)C2=NN(C=C2)C

DOS

IR

Vibrations