Geometry & MOs

Info

ID:	323255
PubChem CID:	126673821
Reduced:	BrO2N4H15C18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	350.06413
ΔH_f, kcal/mol:	10.3
Dipole, Da:	2.62
IP(EA), eV:	-9.1(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-6-(3,3-diethoxypropoxy)-3-fluorobenzene-1,2-diamine

Drug info:

PubChemData

Smile

C1CNC2=C(C=CC=C2O[C@H]1Br)NC(=O)C3=CC4=NC=NC=C4C=C3

DOS

IR

Vibrations