Geometry & MOs

Info

ID:	337771
PubChem CID:	127258394
Reduced:	O5C28H50 (1)
Stoich.:	A5B28C50 (1)
Weight, g/mol:	326.209324
ΔH_f, kcal/mol:	-310.2
Dipole, Da:	5.53
IP(EA), eV:	-10.34(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R,2R)-3-cycloheptyl-2-hydroxycycloheptyl]oxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1CCCCCC(CCCCC1)C2CCCCCCCCC[C@@H]([C@H]2O)OC(=O)CCC(=O)O

DOS

IR

Vibrations