Geometry & MOs

Info

ID:	271485
PubChem CID:	103680745
Reduced:	ON2F3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	199.11209
ΔH_f, kcal/mol:	-140.03
Dipole, Da:	6.1
IP(EA), eV:	-9.24(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-1-ol

Drug info:

PubChemData

Smile

CC1(COC1)CNC2=C(C=C(C=C2)C#N)C(F)(F)F

DOS

IR

Vibrations