Geometry & MOs

Info

ID:	211952
PubChem CID:	81058936
Reduced:	NOC5H11 (2)
Stoich.:	ABC5D11 (2)
Weight, g/mol:	290.043
ΔH_f, kcal/mol:	-111.05
Dipole, Da:	4.28
IP(EA), eV:	-9.26(1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-N-(2-ethoxyethyl)-5-fluoro-1-N-methylbenzene-1,2-diamine

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)C(C(C)C)N

DOS

IR

Vibrations