Geometry & MOs

Info

ID:	346280
PubChem CID:	127270784
Reduced:	FNO5C18H24 (1)
Stoich.:	ABC5D18E24 (1)
Weight, g/mol:	331.13322
ΔH_f, kcal/mol:	-249.6
Dipole, Da:	6.76
IP(EA), eV:	-9.33(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC(=CC2=C1OCOC2)F)OCC3CCCCO3

DOS

IR

Vibrations