Geometry & MOs

Info

ID:	286907
PubChem CID:	104223475
Reduced:	BrON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	247.11209
ΔH_f, kcal/mol:	23.09
Dipole, Da:	4.44
IP(EA), eV:	-9.37(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluoro-2-methylphenoxy)pyrimidin-5-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1)Br)OC2=NC=C(C=N2)CN

DOS

IR

Vibrations