Geometry & MOs

Info

ID:	371724
PubChem CID:	131271300
Reduced:	ION2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	223.173628
ΔH_f, kcal/mol:	18.12
Dipole, Da:	3.36
IP(EA), eV:	-8.6(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-3-fluoro-1-(2,3,4,5,6-pentamethylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1N)CC#N)I

DOS

IR

Vibrations