Geometry & MOs

Info

ID:	396611
PubChem CID:	135028847
Reduced:	NO3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	276.130794
ΔH_f, kcal/mol:	-109.76
Dipole, Da:	1.56
IP(EA), eV:	-8.0(0.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2,3,4,5-tetrahydroxy-1-(2,4,6-triaminopyrimidin-5-yl)pentyl]oxidanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](C(=O)OC(C)(C)C)NC2=CC=C(C=C2)OC

DOS

IR

Vibrations