Geometry & MOs

Info

ID:	299768
PubChem CID:	117689265
Reduced:	O5C22H42 (1)
Stoich.:	A5B22C42 (1)
Weight, g/mol:	222.105608
ΔH_f, kcal/mol:	-238.4
Dipole, Da:	4.12
IP(EA), eV:	-9.5(1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)methylidene]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CCCCOCC(C1(COC1)CC)OC(COCCCC)C2(COC2)CC

DOS

IR

Vibrations