Geometry & MOs

Info

ID:	286858
PubChem CID:	104223272
Reduced:	ClON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	265.102668
ΔH_f, kcal/mol:	9.36
Dipole, Da:	4.94
IP(EA), eV:	-9.16(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC2=NC=C(C=N2)CNC(C)C)Cl

DOS

IR

Vibrations