Geometry & MOs

Info

ID:	439278
PubChem CID:	135229045
Reduced:	O2N6C15H24 (1)
Stoich.:	A2B6C15D24 (1)
Weight, g/mol:	328.226312
ΔH_f, kcal/mol:	-19.61
Dipole, Da:	3.42
IP(EA), eV:	-8.82(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-octan-4-yl-5-phenylmethoxypyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCCC(CCO)NC1=NC(=NC=C1OCC2=NNN=C2)C

DOS

IR

Vibrations