Geometry & MOs

Info

ID:	439279
PubChem CID:	135229046
Reduced:	ON4C19H28 (1)
Stoich.:	AB4C19D28 (1)
Weight, g/mol:	332.196074
ΔH_f, kcal/mol:	-8.75
Dipole, Da:	2.7
IP(EA), eV:	-8.27(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-amino-5-(pyrazin-2-ylmethoxy)pyrimidin-4-yl]amino]-4-methylhexan-1-ol

Drug info:

PubChemData

Smile

CCCCC(CCC)NC1=NC(=NC=C1OCC2=CC=CC=C2)N

DOS

IR

Vibrations