Geometry & MOs

Info

ID:	190825
PubChem CID:	78065262
Reduced:	O11N16C36H66 (1)
Stoich.:	A11B16C36D66 (1)
Weight, g/mol:	264.097088
ΔH_f, kcal/mol:	-515.65
Dipole, Da:	9.41
IP(EA), eV:	-9.2(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

3-(1,3-dimethyl-2,6-dioxo-5H-purin-7-ium-7-yl)-2-hydroxyprop-1-ene-1-diazonium

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)N)N)C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)O

DOS

IR

Vibrations