Geometry & MOs

Info

ID:	50329
PubChem CID:	12012849
Reduced:	O4C25H32 (1)
Stoich.:	A4B25C32 (1)
Weight, g/mol:	338.188195
ΔH_f, kcal/mol:	-103.86
Dipole, Da:	1.87
IP(EA), eV:	-9.18(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R)-2-phenylcyclohexyl] 3-methoxy-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)OOC(CC(=O)O[C@H]1CCCC[C@@H]1C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations