Geometry & MOs

Info

ID:	150887
PubChem CID:	53790584
Reduced:	N2O7C14H18 (1)
Stoich.:	A2B7C14D18 (1)
Weight, g/mol:	416.236288
ΔH_f, kcal/mol:	-286.88
Dipole, Da:	3.36
IP(EA), eV:	-9.64(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-[4-(4-fluorophenoxy)-3-hydroxybut-1-enyl]-5,5-dimethyl-2-bicyclo[2.1.1]hexanyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O

DOS

IR

Vibrations