Geometry & MOs

Info

ID:	29734
PubChem CID:	836795
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-162.13
Dipole, Da:	6.89
IP(EA), eV:	-9.39(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R)-2-hydroxycyclohexyl] 2-methoxybenzoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)O[C@H]2CCCC[C@H]2O

DOS

IR

Vibrations