Geometry & MOs

Info

ID:	261795
PubChem CID:	103251548
Reduced:	NF3O3C9H14 (1)
Stoich.:	AB3C3D9E14 (1)
Weight, g/mol:	237.111341
ΔH_f, kcal/mol:	-281.98
Dipole, Da:	4.44
IP(EA), eV:	-9.85(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(oxan-3-ylamino)methyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1C(CNCC(C(=O)O)C(F)(F)F)O

DOS

IR

Vibrations