Geometry & MOs

Info

ID:	191489
PubChem CID:	78153930
Reduced:	N3O6H25C26 (1)
Stoich.:	A3B6C25D26 (1)
Weight, g/mol:	342.156615
ΔH_f, kcal/mol:	-92.63
Dipole, Da:	9.41
IP(EA), eV:	-8.71(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(2,3-dioxoquinoxalin-1-ium-1-yl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C2=C3C(=O)NN(C3=NC4=C5C=CC(=O)C=C5OC24)C6CCCC6)OC)OC

DOS

IR

Vibrations