Geometry & MOs

Info

ID:	286832
PubChem CID:	104222563
Reduced:	ON6C12H16 (1)
Stoich.:	AB6C12D16 (1)
Weight, g/mol:	311.083683
ΔH_f, kcal/mol:	61.94
Dipole, Da:	7.91
IP(EA), eV:	-9.13(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNCC1=CN=C(N=C1)N2C=CC(=N2)C(=O)N(C)C

DOS

IR

Vibrations