Geometry & MOs

Info

ID:	210968
PubChem CID:	80877271
Reduced:	FON3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	263.124547
ΔH_f, kcal/mol:	-31.15
Dipole, Da:	1.22
IP(EA), eV:	-9.21(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)OC2=NC=NC(=C2C)N

DOS

IR

Vibrations