Geometry & MOs

Info

ID:	447380
PubChem CID:	135282468
Reduced:	FCl2N3O3C28H28 (1)
Stoich.:	AB2C3D3E28F28 (1)
Weight, g/mol:	248.070954
ΔH_f, kcal/mol:	-98.66
Dipole, Da:	5.14
IP(EA), eV:	-9.53(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-fluoro-6-methylpyridin-2-yl)pyrimidin-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C1=CC2=C(C(=C1)F)C(N(C2=O)CC3=NC=C(C=C3)Cl)(C4=CC=C(C=C4)Cl)OCC5(CC5)CN)O

DOS

IR

Vibrations