Geometry & MOs

Info

ID:	186196
PubChem CID:	77402154
Reduced:	O2C10H15 (2)
Stoich.:	A2B10C15 (2)
Weight, g/mol:	428.274718
ΔH_f, kcal/mol:	-166.14
Dipole, Da:	7.07
IP(EA), eV:	-9.63(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-aminoethylamino)-7-methyl-2-methylidene-10-(2,3,4,5-tetrahydroxypentyl)-1,4a,5,5a,6,7,8,9,9a,10a-decahydrobenzo[g]pteridin-4-one

Drug info:

PubChemData

Smile

CC(C)C(C)(C=C(C)C)C(=O)OCC1C2C3CC3CC2(C(=O)O1)C

DOS

IR

Vibrations