Geometry & MOs

Info

ID:	265340
PubChem CID:	103517702
Reduced:	BrFON3H11C12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	255.03711
ΔH_f, kcal/mol:	-22.49
Dipole, Da:	1.33
IP(EA), eV:	-8.74(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-N-(1-cyclopropylethyl)pyridine-3,4-diamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC2=C(C=NC=C2N)Br)F

DOS

IR

Vibrations