Geometry & MOs

Info

ID:	276929
PubChem CID:	103825838
Reduced:	BrFN2O2C15H16 (1)
Stoich.:	ABC2D2E15F16 (1)
Weight, g/mol:	268.112425
ΔH_f, kcal/mol:	-67.04
Dipole, Da:	1.48
IP(EA), eV:	-8.66(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-3-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Br)CNC2=CN=C(C=C2)F)OC

DOS

IR

Vibrations