Geometry & MOs

Info

ID:	193561
PubChem CID:	78406542
Reduced:	PN3O6C7H16 (1)
Stoich.:	AB3C6D7E16 (1)
Weight, g/mol:	325.102233
ΔH_f, kcal/mol:	-311.81
Dipole, Da:	7.96
IP(EA), eV:	-9.91(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-oxo-7aH-imidazo[4,5-d]pyridazin-4-yl]acetamide

Drug info:

PubChemData

Smile

C1C(NC(=O)NC1OCCOCP(=O)(O)O)N

DOS

IR

Vibrations