Geometry & MOs

Info

ID:	15154
PubChem CID:	431058
Reduced:	NH2C3F3 (2)
Stoich.:	AB2C3D3 (2)
Weight, g/mol:	218.027867
ΔH_f, kcal/mol:	-277.38
Dipole, Da:	5.17
IP(EA), eV:	-9.7(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis(trifluoromethyl)-1H-pyrimidine

Drug info:

PubChemData

Smile

C1=CNC(N=C1)(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations