Geometry & MOs

Info

ID:	210480
PubChem CID:	80812898
Reduced:	ClN5C13H24 (1)
Stoich.:	AB5C13D24 (1)
Weight, g/mol:	274.159375
ΔH_f, kcal/mol:	-6.19
Dipole, Da:	4.3
IP(EA), eV:	-9.37(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,4-N-diethyl-4-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations