Geometry & MOs

Info

ID:	295007
PubChem CID:	117511448
Reduced:	F3O4C16H17 (1)
Stoich.:	A3B4C16D17 (1)
Weight, g/mol:	330.121572
ΔH_f, kcal/mol:	-309.34
Dipole, Da:	9.04
IP(EA), eV:	-9.45(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC3=C(C=C2C(F)(F)F)OCCO3)C(=O)O

DOS

IR

Vibrations