Geometry & MOs

Info

ID:	295260
PubChem CID:	117523680
Reduced:	FN2O2H11C13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	258.100442
ΔH_f, kcal/mol:	-69.13
Dipole, Da:	6.61
IP(EA), eV:	-9.81(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-methylphenoxy)ethyl]pyrimidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CCC2=NC(=NC=C2)C(=O)O

DOS

IR

Vibrations