Geometry & MOs

Info

ID:	447314
PubChem CID:	135281964
Reduced:	BrFNO3C14H19 (1)
Stoich.:	ABCD3E14F19 (1)
Weight, g/mol:	262.086604
ΔH_f, kcal/mol:	-176.29
Dipole, Da:	5.45
IP(EA), eV:	-9.13(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](CC(C)(C)NC(=O)O)COC1=C(C=C(C=C1)Br)F

DOS

IR

Vibrations