Geometry & MOs

Info

ID:	272027
PubChem CID:	103719060
Reduced:	BrClON3H7C11 (1)
Stoich.:	ABCD3E7F11 (1)
Weight, g/mol:	167.111028
ΔH_f, kcal/mol:	20.71
Dipole, Da:	4.08
IP(EA), eV:	-9.81(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-fluoro-3-methylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=NC=C1C(=O)NC2=NC=CC(=C2)Cl)Br

DOS

IR

Vibrations