Geometry & MOs

Info

ID:	265342
PubChem CID:	103517742
Reduced:	BrON4C10H15 (1)
Stoich.:	ABC4D10E15 (1)
Weight, g/mol:	305.99164
ΔH_f, kcal/mol:	-13.71
Dipole, Da:	0.56
IP(EA), eV:	-9.26(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-amino-5-bromopyridin-4-yl)amino]-6-fluorobenzonitrile

Drug info:

PubChemData

Smile

CCN(CC(=O)NC)C1=C(C=NC=C1N)Br

DOS

IR

Vibrations