Geometry & MOs

Info

ID:	210651
PubChem CID:	80834675
Reduced:	ON5C15H25 (1)
Stoich.:	AB5C15D25 (1)
Weight, g/mol:	240.175025
ΔH_f, kcal/mol:	-26.07
Dipole, Da:	4.63
IP(EA), eV:	-8.62(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-ethyl-5-fluoro-4-N-hexylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)C)NCC2CN3CCCC3CO2

DOS

IR

Vibrations