Geometry & MOs

Info

ID:	211461
PubChem CID:	80953296
Reduced:	ClSN3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	293.109503
ΔH_f, kcal/mol:	12.66
Dipole, Da:	4.97
IP(EA), eV:	-9.2(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[1-(2-fluorophenyl)ethyl]-2-propan-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C(C)NC2=CC(=NC(=N2)C(C)C)Cl

DOS

IR

Vibrations