Geometry & MOs

Info

ID:	295259
PubChem CID:	117523664
Reduced:	N2O3H12C13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	246.080456
ΔH_f, kcal/mol:	-60.32
Dipole, Da:	5.13
IP(EA), eV:	-9.22(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)C(=O)O)COC2=CC=CC=C2

DOS

IR

Vibrations