Geometry & MOs

Info

ID:	287973
PubChem CID:	104303325
Reduced:	FN2O3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	281.073118
ΔH_f, kcal/mol:	-97.79
Dipole, Da:	2.05
IP(EA), eV:	-9.25(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanamine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)CC2=CC(=NC=N2)OC)F

DOS

IR

Vibrations