Geometry & MOs

Info

ID:	362651
PubChem CID:	127308929
Reduced:	FN2O4C18H23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	388.191069
ΔH_f, kcal/mol:	-123.14
Dipole, Da:	3.99
IP(EA), eV:	-9.13(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)NCCC3=CC(=CC4=C3OCOC4)F)O

DOS

IR

Vibrations