Geometry & MOs

Info

ID:	204429
PubChem CID:	79965278
Reduced:	F3N3C13H20 (1)
Stoich.:	A3B3C13D20 (1)
Weight, g/mol:	223.07326
ΔH_f, kcal/mol:	-170.09
Dipole, Da:	4.19
IP(EA), eV:	-8.8(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=C1C)CC)CCC(F)(F)F

DOS

IR

Vibrations