Geometry & MOs

Info

ID:	269168
PubChem CID:	103616213
Reduced:	FO3H11C12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	236.084872
ΔH_f, kcal/mol:	-116.56
Dipole, Da:	5.87
IP(EA), eV:	-9.35(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(cyclopropylmethoxy)-5-fluorophenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C=CCOC1=C(C=C(C=C1)F)/C=C/C(=O)O

DOS

IR

Vibrations