Geometry & MOs

Info

ID:	211464
PubChem CID:	80953299
Reduced:	ClN3C16H20 (1)
Stoich.:	AB3C16D20 (1)
Weight, g/mol:	295.088768
ΔH_f, kcal/mol:	21.56
Dipole, Da:	3.99
IP(EA), eV:	-8.97(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1=CC=CC=C1NC2=CC(=NC(=N2)C(C)C)Cl

DOS

IR

Vibrations