Geometry & MOs

Info

ID:	286863
PubChem CID:	104223295
Reduced:	BrON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	307.03202
ΔH_f, kcal/mol:	21.63
Dipole, Da:	3.91
IP(EA), eV:	-9.26(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNCC1=CN=C(N=C1)OC2=C(C=C(C=C2)Br)C

DOS

IR

Vibrations