Geometry & MOs

Info

ID:	265339
PubChem CID:	103517700
Reduced:	BrON4C10H15 (1)
Stoich.:	ABC4D10E15 (1)
Weight, g/mol:	311.00695
ΔH_f, kcal/mol:	-9.22
Dipole, Da:	4.52
IP(EA), eV:	-8.65(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-N-(3-fluoro-4-methoxyphenyl)pyridine-3,4-diamine

Drug info:

PubChemData

Smile

CN(C)C(=O)CN(C)C1=C(C=NC=C1N)Br

DOS

IR

Vibrations