Geometry & MOs

Info

ID:	438259
PubChem CID:	135227987
Reduced:	FOC9H9 (1)
Stoich.:	ABC9D9 (1)
Weight, g/mol:	384.02219
ΔH_f, kcal/mol:	-20.78
Dipole, Da:	3.91
IP(EA), eV:	-9.5(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-nitro-N-[phenyl(pyridin-2-yl)methyl]pyridin-3-amine

Drug info:

PubChemData

Smile

C/1C/C(=C(\C=C/C=C1)/F)/C=O

DOS

IR

Vibrations