Geometry & MOs

Info

ID:	209930
PubChem CID:	80740353
Reduced:	BrN2O2C16H19 (1)
Stoich.:	AB2C2D16E19 (1)
Weight, g/mol:	290.143056
ΔH_f, kcal/mol:	-46.87
Dipole, Da:	3.12
IP(EA), eV:	-8.23(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(4-fluoro-2-methoxyphenyl)-5-propoxybenzene-1,3-diamine

Drug info:

PubChemData

Smile

CCCOC1=CC(=CC(=C1)NC2=C(C=CC(=C2)Br)OC)N

DOS

IR

Vibrations