Geometry & MOs

Info

ID:	371971
PubChem CID:	131283259
Reduced:	BrClFOH5C9 (1)
Stoich.:	ABCDE5F9 (1)
Weight, g/mol:	237.053212
ΔH_f, kcal/mol:	-41.74
Dipole, Da:	2.42
IP(EA), eV:	-10.07(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-3,3-difluoropropan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)F)C(=O)/C=C/Cl

DOS

IR

Vibrations