Geometry & MOs

Info

ID:	347097
PubChem CID:	127271601
Reduced:	FN3O4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	391.190734
ΔH_f, kcal/mol:	-181.75
Dipole, Da:	6.26
IP(EA), eV:	-9.31(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)NCC2=CC(=CC3=C2OCOC3)F)C(=O)NC4CC4

DOS

IR

Vibrations