Geometry & MOs

Info

ID:	163755
PubChem CID:	74374164
Reduced:	FN3O5C28H32 (1)
Stoich.:	AB3C5D28E32 (1)
Weight, g/mol:	462.142701
ΔH_f, kcal/mol:	-138.13
Dipole, Da:	3.68
IP(EA), eV:	-8.33(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[3-(4-hydroxyphenyl)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxymethyl]-1,2,4-oxadiazol-5-yl]benzoic acid

Drug info:

PubChemData

Smile

C1CC2C(CC1OCCN3CCN(CC3)C(=O)NC4=CC(=CC=C4)F)OC=C(C2=O)C5=CC=C(C=C5)O

DOS

IR

Vibrations