Geometry & MOs

Info

ID:	373159
PubChem CID:	131310853
Reduced:	ClON2F3C8H8 (1)
Stoich.:	ABC2D3E8F8 (1)
Weight, g/mol:	197.121592
ΔH_f, kcal/mol:	-195.4
Dipole, Da:	4.98
IP(EA), eV:	-9.25(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S)-1-amino-3-fluoropropyl]-3,5-dimethylphenol

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1OC(F)(F)F)CCl)N

DOS

IR

Vibrations