Geometry & MOs

Info

ID:	153657
PubChem CID:	56312944
Reduced:	FN3O5H20C26 (1)
Stoich.:	AB3C5D20E26 (1)
Weight, g/mol:	387.15699
ΔH_f, kcal/mol:	-71.88
Dipole, Da:	0.59
IP(EA), eV:	-9.13(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-fluorophenoxy)butyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations