Geometry & MOs

Info

ID:	59400
PubChem CID:	24853740
Reduced:	FN2O3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	463.34503
ΔH_f, kcal/mol:	-57.03
Dipole, Da:	4.62
IP(EA), eV:	-9.62(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-adamantylamino)-3-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]propan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NOC(=C2C3=CC=NC=C3)OCCCO)F

DOS

IR

Vibrations