Geometry & MOs

Info

ID:	186194
PubChem CID:	77401965
Reduced:	N2O3C14H23 (2)
Stoich.:	A2B3C14D23 (2)
Weight, g/mol:	409.232519
ΔH_f, kcal/mol:	-272.94
Dipole, Da:	6.41
IP(EA), eV:	-8.52(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(7,8-dimethyl-2-methylidene-4-oxo-1,4a,5,5a,6,7,8,9,9a,10a-decahydrobenzo[g]pteridin-10-yl)ethylamino]butanedioic acid

Drug info:

PubChemData

Smile

CCC1(OC2COC3(C(C2O1)OC(O3)(CC)CC)CN4CCC(CC4)NCC(=O)N5CCCC5C#N)CC

DOS

IR

Vibrations