Geometry & MOs

Info

ID:	151108
PubChem CID:	53790806
Reduced:	FO4C22H35 (1)
Stoich.:	AB4C22D35 (1)
Weight, g/mol:	473.247609
ΔH_f, kcal/mol:	-243.69
Dipole, Da:	4.83
IP(EA), eV:	-9.57(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1(CCC1)C(C/C=C/[C@@H]2[C@H](C(CC2OC)F)C/C=C\CCCC(=O)O)O

DOS

IR

Vibrations