Geometry & MOs

Info

ID:	263740
PubChem CID:	103394271
Reduced:	BrFO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	402.94057
ΔH_f, kcal/mol:	-166.05
Dipole, Da:	4.57
IP(EA), eV:	-9.2(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-4-methylphenyl)methanamine

Drug info:

PubChemData

Smile

CC(CCC(=O)O)C1=CC(=C(C=C1OC)F)Br

DOS

IR

Vibrations