Geometry & MOs

Info

ID:

191105

PubChem CID:

78104736

Reduced:

ON9C20H27 (1)

Stoich.:

AB9C20D27 (1)

Weight, g/mol:

551.259128

ΔHf, kcal/mol:

39.39

Dipole, Da:

4.41

IP(EA), eV:

 -8.55(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-5-[[1-(4,5-dimethoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-7-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3,4a,7a-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=N1)C(=CC(=C2)NC3=C(N=NC(=N3)NC4CCCCC4N)C(=O)N)C

DOS

IR

Vibrations