Geometry & MOs

Info

ID:	346653
PubChem CID:	127271157
Reduced:	FN2O5H17C19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	364.179835
ΔH_f, kcal/mol:	-221.46
Dipole, Da:	7.35
IP(EA), eV:	-9.0(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C(=O)N2)C(=O)NCC3=CC(=CC4=C3OCOC4)F)C(=O)C1

DOS

IR

Vibrations