Geometry & MOs

Info

ID:	408346
PubChem CID:	135081112
Reduced:	FO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	227.069477
ΔH_f, kcal/mol:	-95.48
Dipole, Da:	2.1
IP(EA), eV:	-9.61(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-pyrimidin-2-yliminomethyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C(CC=O)CO)F

DOS

IR

Vibrations