Geometry & MOs

Info

ID:	379006
PubChem CID:	134228861
Reduced:	BrFN2C9H12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	282.169191
ΔH_f, kcal/mol:	-31.26
Dipole, Da:	4.2
IP(EA), eV:	-8.42(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-(dimethylamino)ethyl]-2-ethoxy-4-N-methyl-5-nitrobenzene-1,4-diamine

Drug info:

PubChemData

Smile

CC(C)NC1=C(C(=CC(=C1)Br)F)N

DOS

IR

Vibrations