Geometry & MOs

Info

ID:	289763
PubChem CID:	104372929
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	240.062029
ΔH_f, kcal/mol:	-77.51
Dipole, Da:	6.16
IP(EA), eV:	-9.39(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-1-(4-fluorophenyl)sulfanylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1CC1(C2=CC(=C(C=C2)C)C)C(=O)O

DOS

IR

Vibrations