Geometry & MOs

Info

ID:	173206
PubChem CID:	75610667
Reduced:	IO3N5H22C26 (1)
Stoich.:	AB3C5D22E26 (1)
Weight, g/mol:	456.087705
ΔH_f, kcal/mol:	55.46
Dipole, Da:	6.36
IP(EA), eV:	-8.24(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;2,4,6-trinitrophenol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)CNC(=O)C3=CC=CC=C3I)C4=CC=CC=C4

DOS

IR

Vibrations