Geometry & MOs

Info

ID:	286877
PubChem CID:	104223337
Reduced:	O2N3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	281.073118
ΔH_f, kcal/mol:	-8.32
Dipole, Da:	5.55
IP(EA), eV:	-9.51(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(3-chloro-4-fluorophenoxy)pyrimidin-5-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations