Geometry & MOs

Info

ID:	434143
PubChem CID:	135174304
Reduced:	N6C7H12 (1)
Stoich.:	A6B7C12 (1)
Weight, g/mol:	394.031761
ΔH_f, kcal/mol:	86.75
Dipole, Da:	5.57
IP(EA), eV:	-9.13(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(3S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium

Drug info:

PubChemData

Smile

CCN1C(=C(N=N1)C(=NC=C)N)N

DOS

IR

Vibrations