Geometry & MOs

Info

ID:	270213
PubChem CID:	103634884
Reduced:	FO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	211.148476
ΔH_f, kcal/mol:	-68.72
Dipole, Da:	2.93
IP(EA), eV:	-8.51(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-6-methyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NC=N1)NC(C)C2=CC(=C(C=C2)OC)OC)F

DOS

IR

Vibrations