Geometry & MOs

Info

ID:	146828
PubChem CID:	53755654
Reduced:	ON6H30C44 (1)
Stoich.:	AB6C30D44 (1)
Weight, g/mol:	197.157978
ΔH_f, kcal/mol:	233.1
Dipole, Da:	9.17
IP(EA), eV:	-8.4(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-5,7-dimethyladamantan-1-amine

Drug info:

PubChemData

Smile

CN1C=CC=C1C2=C(C(=C3C(=CNC3=C2C4=CC=CCO4)C5=NC6=CC=CC=C6C=C5)C7=NC=CC8=CC=CC=C87)C9=CC1=CC=CC=C1N=N9

DOS

IR

Vibrations