Geometry & MOs

Info

ID:	275832
PubChem CID:	103818203
Reduced:	BrSN2O2C13H13 (1)
Stoich.:	ABC2D2E13F13 (1)
Weight, g/mol:	251.092184
ΔH_f, kcal/mol:	-25.06
Dipole, Da:	5.7
IP(EA), eV:	-8.85(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-difluoro-N-[(2-fluoro-5-methylphenyl)methyl]aniline

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NCC2=C(C=CO2)Br)SCC(=O)N

DOS

IR

Vibrations