Geometry & MOs

Info

ID:	157169
PubChem CID:	56422217
Reduced:	FN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	415.153206
ΔH_f, kcal/mol:	-93.46
Dipole, Da:	3.12
IP(EA), eV:	-8.89(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)CC(=O)NCC3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations