Geometry & MOs

Info

ID:	48538
PubChem CID:	11108075
Reduced:	O5C13H24 (1)
Stoich.:	A5B13C24 (1)
Weight, g/mol:	260.141245
ΔH_f, kcal/mol:	-267.12
Dipole, Da:	3.92
IP(EA), eV:	-9.97(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-2-(1-methoxycyclohexyl)ethenyl] benzoate

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](OC(O[C@@H]1CCOC(=O)C)(C)C)CCO

DOS

IR

Vibrations