Geometry & MOs

Info

ID:	439605
PubChem CID:	135229383
Reduced:	OS2N3C15H23 (1)
Stoich.:	AB2C3D15E23 (1)
Weight, g/mol:	202.090627
ΔH_f, kcal/mol:	-12.72
Dipole, Da:	2.88
IP(EA), eV:	-8.56(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethylphenyl)-5-fluoropyrimidine

Drug info:

PubChemData

Smile

CSC1CCN(C1)CC(=O)C2CCN(CC2)C3=NC=CS3

DOS

IR

Vibrations