Geometry & MOs

Info

ID:	210963
PubChem CID:	80877183
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	277.122655
ΔH_f, kcal/mol:	-26.68
Dipole, Da:	3.05
IP(EA), eV:	-9.0(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-5-fluoro-4-[3-(methoxymethyl)phenoxy]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCCNC1=NC=CC(=N1)OC2=CC=CC(=C2)COC

DOS

IR

Vibrations