Geometry & MOs

Info

ID:	210750
PubChem CID:	80851793
Reduced:	ON5C14H23 (1)
Stoich.:	AB5C14D23 (1)
Weight, g/mol:	294.104752
ΔH_f, kcal/mol:	-15.42
Dipole, Da:	2.07
IP(EA), eV:	-8.26(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC(CCO)CNC1=NC(=CN2C1=NC=C2)NCC

DOS

IR

Vibrations