Geometry & MOs

Info

ID:	291550
PubChem CID:	113438345
Reduced:	FO2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	262.087291
ΔH_f, kcal/mol:	-78.77
Dipole, Da:	5.27
IP(EA), eV:	-8.87(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-methyl-6-(2-propoxyphenyl)pyrimidine

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1C2=CC(=C(C=C2)F)C=O

DOS

IR

Vibrations