Geometry & MOs

Info

ID:	174187
PubChem CID:	75736851
Reduced:	NO2C15H15 (2)
Stoich.:	AB2C15D15 (2)
Weight, g/mol:	366.193
ΔH_f, kcal/mol:	-82.95
Dipole, Da:	4.92
IP(EA), eV:	-8.56(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3,4,5,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-5-ium-2-yl-[6-(furan-2-yl)-1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=C(C=CC2=CC=CC=C21)OC)N(C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)O

DOS

IR

Vibrations