Geometry & MOs

Info

ID:	441918
PubChem CID:	135246698
Reduced:	FON5C24H26 (1)
Stoich.:	ABC5D24E26 (1)
Weight, g/mol:	311.107005
ΔH_f, kcal/mol:	37.95
Dipole, Da:	4.8
IP(EA), eV:	-8.66(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(4-fluoro-2-methoxyphenyl)pyridin-2-yl]oxy-2-methylpyrimidine

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)F)C2=C(N=CC=C2)CC3=CN=C(N=C3)N(C)C/C=C/OC=NC

DOS

IR

Vibrations