Geometry & MOs

Info

ID:	159442
PubChem CID:	57280189
Reduced:	NPC2O2H6 (1)
Stoich.:	ABC2D2E6 (1)
Weight, g/mol:	262.156895
ΔH_f, kcal/mol:	-88.83
Dipole, Da:	4.47
IP(EA), eV:	-10.13(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl] propanoate

Drug info:

PubChemData

Smile

C(C(=O)N)OP

DOS

IR

Vibrations