Geometry & MOs

Info

ID:	379449
PubChem CID:	134419526
Reduced:	OSC13H19 (2)
Stoich.:	ABC13D19 (2)
Weight, g/mol:	401.24269
ΔH_f, kcal/mol:	-91.4
Dipole, Da:	4.34
IP(EA), eV:	-8.72(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(hydroxymethyl)-5-[2-[2-(2,4,6-triaminopyrimidin-5-yl)ethoxy]ethyl]phenyl]-3,3-dimethylbutan-1-one

Drug info:

PubChemData

Smile

CCCCCCCC1CC(C1)SCC2=CC3=C(C(=CC(=C3)CS)CO)C(=C2)COC

DOS

IR

Vibrations