Geometry & MOs

Info

ID:	246130
PubChem CID:	103046125
Reduced:	BrON4H9C13 (1)
Stoich.:	ABC4D9E13 (1)
Weight, g/mol:	281.061885
ΔH_f, kcal/mol:	55.46
Dipole, Da:	5.13
IP(EA), eV:	-9.24(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-chloro-2-fluorophenyl)methoxy]-4-methoxyaniline

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC=N2)C(=C1)OC3=NC(=CC(=N3)Br)N

DOS

IR

Vibrations