Geometry & MOs

Info

ID:	204425
PubChem CID:	79964304
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	224.03281
ΔH_f, kcal/mol:	-10.13
Dipole, Da:	3.28
IP(EA), eV:	-8.57(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(chloromethyl)-2-(3,3,3-trifluoropropyl)pyrimidine

Drug info:

PubChemData

Smile

CCCCCN(C)CC1=NC2=C(O1)C=CC(=C2)N

DOS

IR

Vibrations