Geometry & MOs

Info

ID:	265348
PubChem CID:	103517872
Reduced:	BrON4C11H17 (1)
Stoich.:	ABC4D11E17 (1)
Weight, g/mol:	309.02769
ΔH_f, kcal/mol:	-19.62
Dipole, Da:	1.18
IP(EA), eV:	-8.8(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine

Drug info:

PubChemData

Smile

CCCNC(=O)C(C)NC1=C(C=NC=C1N)Br

DOS

IR

Vibrations