Geometry & MOs

Info

ID:	126439
PubChem CID:	50965024
Reduced:	N6C17H20 (1)
Stoich.:	A6B17C20 (1)
Weight, g/mol:	269.077596
ΔH_f, kcal/mol:	95.87
Dipole, Da:	2.33
IP(EA), eV:	-9.58(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-6-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)C2=NC(=NN2C3=CC=CC=N3)C)CC(C)C

DOS

IR

Vibrations