Geometry & MOs

Info

ID:	184291
PubChem CID:	77140582
Reduced:	N4O6C19H28 (1)
Stoich.:	A4B6C19D28 (1)
Weight, g/mol:	282.09642
ΔH_f, kcal/mol:	-246.69
Dipole, Da:	3.21
IP(EA), eV:	-8.77(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-3-propa-1,2-dienyloxolan-2-yl]-1,3,5-triazin-2-one

Drug info:

PubChemData

Smile

CCN(C)C(=O)OC1=CC=CC(=C1)C(C)N(C)C.C1C(NC(=O)NC1=O)C(=O)O

DOS

IR

Vibrations