Geometry & MOs

Info

ID:	128055
PubChem CID:	51028959
Reduced:	NF3O6C36H38 (1)
Stoich.:	AB3C6D36E38 (1)
Weight, g/mol:	246.185789
ΔH_f, kcal/mol:	-319.16
Dipole, Da:	7.45
IP(EA), eV:	-8.94(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-[2-(4-methoxyphenyl)ethyl]azanium

Drug info:

PubChemData

Smile

CC1=CCC[C@@]2([C@H](CC[C@]23CN(C(=O)O3)CC4=CC=C(C=C4)OC(F)(F)F)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC=CO6)C

DOS

IR

Vibrations