Geometry & MOs

Info

ID:	186663
PubChem CID:	77464188
Reduced:	SO6C25H28 (1)
Stoich.:	AB6C25D28 (1)
Weight, g/mol:	346.101665
ΔH_f, kcal/mol:	-222.31
Dipole, Da:	2.13
IP(EA), eV:	-8.75(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-ethyl-3-phenylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(S2)CC3=C(C=CC(=C3)C4(C(C(C(C(O4)CO)O)O)O)O)C

DOS

IR

Vibrations