Geometry & MOs

Info

ID:	286909
PubChem CID:	104223495
Reduced:	ClFON3H9C11 (1)
Stoich.:	ABCD3E9F11 (1)
Weight, g/mol:	349.07897
ΔH_f, kcal/mol:	-15.93
Dipole, Da:	5.91
IP(EA), eV:	-9.4(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-bromo-3-methylphenoxy)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OC2=NC=C(C=N2)CN)F)Cl

DOS

IR

Vibrations