Geometry & MOs

Info

ID:	188717
PubChem CID:	77758577
Reduced:	N2O2H10C13 (1)
Stoich.:	A2B2C10D13 (1)
Weight, g/mol:	264.138639
ΔH_f, kcal/mol:	25.86
Dipole, Da:	9.54
IP(EA), eV:	-10.12(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrazol-3-yl)-6-fluorophenyl]acetamide

Drug info:

PubChemData

Smile

C=CCC1=CC2=NC(=O)C(=C(C2C=C1)O)C#N

DOS

IR

Vibrations