Geometry & MOs

Info

ID:	447404
PubChem CID:	135282604
Reduced:	F2N3O3C19H23 (1)
Stoich.:	A2B3C3D19E23 (1)
Weight, g/mol:	248.070954
ΔH_f, kcal/mol:	-193.54
Dipole, Da:	3.33
IP(EA), eV:	-9.32(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(6-fluoro-5-methylpyridin-3-yl)pyrimidin-4-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC=N1)C2=CC(=C(C=C2F)OC[C@@H](C)CC(C)(C)NC(=O)O)F

DOS

IR

Vibrations