Geometry & MOs

Info

ID:	46581
PubChem CID:	10525360
Reduced:	IN4O4C12H15 (1)
Stoich.:	AB4C4D12E15 (1)
Weight, g/mol:	406.13493
ΔH_f, kcal/mol:	-103.36
Dipole, Da:	3.48
IP(EA), eV:	-8.48(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminoethyl)-2-(3,7,9-trimethyl-5-oxido-2,4,6,8-tetraoxopyrimido[5,4-g]pteridin-5-ium-1-yl)acetamide

Drug info:

PubChemData

Smile

CNC1=C2C(=CN(C2=NC=N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)I

DOS

IR

Vibrations