Geometry & MOs

Info

ID:	258082
PubChem CID:	103150763
Reduced:	N2F3O3C10H11 (1)
Stoich.:	A2B3C3D10E11 (1)
Weight, g/mol:	232.065949
ΔH_f, kcal/mol:	-256.24
Dipole, Da:	3.42
IP(EA), eV:	-10.77(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)CCOCC(F)(F)F)C(=O)O

DOS

IR

Vibrations