Geometry & MOs

Info

ID:	201654
PubChem CID:	79565930
Reduced:	F3N3C13H24 (1)
Stoich.:	A3B3C13D24 (1)
Weight, g/mol:	239.04371
ΔH_f, kcal/mol:	-180.35
Dipole, Da:	4.75
IP(EA), eV:	-8.58(1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CC(C(C1)N)CCN2CCN(CC2)CC(F)(F)F

DOS

IR

Vibrations