Geometry & MOs

Info

ID:	371446
PubChem CID:	127346366
Reduced:	FN3O3C19H22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	297.15896
ΔH_f, kcal/mol:	-100.29
Dipole, Da:	7.72
IP(EA), eV:	-9.49(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2-pyrazol-1-ylpyridin-4-yl)methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CC2CCOC2)C3=NC(=NO3)C4=CC(=CC=C4)F

DOS

IR

Vibrations