Geometry & MOs

Info

ID:	438260
PubChem CID:	135227988
Reduced:	BrO2N4H13C17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	420.99859
ΔH_f, kcal/mol:	97.52
Dipole, Da:	8.87
IP(EA), eV:	-9.27(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[bis(3-fluoropyridin-2-yl)methyl]-5-bromo-2-nitropyridin-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=N2)NC3=C(N=CC(=C3)Br)[N+](=O)[O-]

DOS

IR

Vibrations