Geometry & MOs

Info

ID:	286833
PubChem CID:	104223131
Reduced:	ClFO2N3C14H15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	297.043567
ΔH_f, kcal/mol:	-55.92
Dipole, Da:	3.9
IP(EA), eV:	-9.52(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(3,4-dichlorophenoxy)pyrimidin-5-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

COCCNCC1=CN=C(N=C1)OC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations