Geometry & MOs

Info

ID:	242153
PubChem CID:	96079336
Reduced:	FN3C10H10 (1)
Stoich.:	AB3C10D10 (1)
Weight, g/mol:	246.116841
ΔH_f, kcal/mol:	21.64
Dipole, Da:	3.97
IP(EA), eV:	-9.59(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(S)-amino-(2-fluorophenyl)methyl]-5-methoxyaniline

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[C@H](C2=CNN=C2)N)F

DOS

IR

Vibrations