Geometry & MOs

Info

ID:	179121
PubChem CID:	76437040
Reduced:	N2F3O3C15H15 (1)
Stoich.:	A2B3C3D15E15 (1)
Weight, g/mol:	393.252861
ΔH_f, kcal/mol:	-261.76
Dipole, Da:	6.58
IP(EA), eV:	-10.01(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-phenylpiperidin-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrrolidin-2-ylmethanone

Drug info:

PubChemData

Smile

C1C2C(=O)N(CC2(CN1)C(=O)O)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations