Geometry & MOs

Info

ID:

147010

PubChem CID:

53777032

Reduced:

IO6C26H37 (1)

Stoich.:

AB6C26D37 (1)

Weight, g/mol:

488.192051

ΔHf, kcal/mol:

-269.62

Dipole, Da:

1.93

IP(EA), eV:

 -8.64(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-methoxy-3-[[2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-6-oxo-4,5-dihydro-1H-pteridin-4-yl]oxy]benzenecarboximidamide

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3C(=CC=C4[C@@]3(CC[C@@H](C4)OC(=O)OC)C)[C@@H]1CC[C@@H]2C(COC(=O)OC)CI

DOS

IR

Vibrations