Geometry & MOs

Info

ID:	151011
PubChem CID:	53790708
Reduced:	FC23H31 (1)
Stoich.:	AB23C31 (1)
Weight, g/mol:	158.057909
ΔH_f, kcal/mol:	-17.55
Dipole, Da:	1.65
IP(EA), eV:	-8.7(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dihydroxyhept-6-ynoic acid

Drug info:

PubChemData

Smile

CCCCC1CCC(CC1)C=CC#CC2=C(C=C(C=C2)CCC)F

DOS

IR

Vibrations