Geometry & MOs

Info

ID:	306404
PubChem CID:	125011596
Reduced:	F2O2N3C18H25 (1)
Stoich.:	A2B2C3D18E25 (1)
Weight, g/mol:	388.164774
ΔH_f, kcal/mol:	-191.76
Dipole, Da:	6.1
IP(EA), eV:	-9.49(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC=N1)CC[C@@H]2CN(CCO2)C(=O)C3CCC(CC3)(F)F

DOS

IR

Vibrations