Geometry & MOs

Info

ID:	246074
PubChem CID:	103042058
Reduced:	BrClFC18H25 (1)
Stoich.:	ABCD18E25 (1)
Weight, g/mol:	205.046983
ΔH_f, kcal/mol:	-85.56
Dipole, Da:	3.05
IP(EA), eV:	-9.51(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-fluorophenyl)-2-fluoropropan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(CC1)(CC2=CC(=C(C=C2)F)Cl)CBr

DOS

IR

Vibrations