Geometry & MOs

Info

ID:	261884
PubChem CID:	103256813
Reduced:	FSO2N3H12C14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	209.080041
ΔH_f, kcal/mol:	-42.71
Dipole, Da:	4.61
IP(EA), eV:	-8.33(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC(=N1)NCC2=C(SC3=CC=CC(=C32)F)C(=O)O

DOS

IR

Vibrations