Geometry & MOs

Info

ID:	288771
PubChem CID:	104325537
Reduced:	FON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	324.02735
ΔH_f, kcal/mol:	-37.19
Dipole, Da:	5.28
IP(EA), eV:	-7.76(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-N-(4-ethoxy-3-fluorophenyl)benzene-1,2-diamine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC2=NC=C(C=C2C)N)F

DOS

IR

Vibrations