Geometry & MOs

Info

ID:	276936
PubChem CID:	103825860
Reduced:	FN2O2C16H19 (1)
Stoich.:	AB2C2D16E19 (1)
Weight, g/mol:	297.99172
ΔH_f, kcal/mol:	-76.32
Dipole, Da:	6.28
IP(EA), eV:	-8.48(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)CNC2=CN=C(C=C2)F)OC

DOS

IR

Vibrations