Geometry & MOs

Info

ID:	167236
PubChem CID:	74796652
Reduced:	N2O2C8H9 (2)
Stoich.:	A2B2C8D9 (2)
Weight, g/mol:	332.164854
ΔH_f, kcal/mol:	-63.78
Dipole, Da:	0.7
IP(EA), eV:	-8.83(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorobenzoyl)-N-prop-2-enyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C#CCNC(=O)CCC1C(=O)NC(NN1)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations