Geometry & MOs

Info

ID:	312282
PubChem CID:	126604095
Reduced:	IC4O4H9 (1)
Stoich.:	AB4C4D9 (1)
Weight, g/mol:	343.200825
ΔH_f, kcal/mol:	-179.12
Dipole, Da:	1.5
IP(EA), eV:	-9.61(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-butoxy-8-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-5,7-dihydropteridin-6-one

Drug info:

PubChemData

Smile

C[C@@](O)(OCOCO)I

DOS

IR

Vibrations