Geometry & MOs

Info

ID:	339210
PubChem CID:	127260589
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	312.13953
ΔH_f, kcal/mol:	-27.32
Dipole, Da:	2.83
IP(EA), eV:	-8.86(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexanol;[methoxy(phenylsulfanyl)methyl] acetate

Drug info:

PubChemData

Smile

C1CCC(CC1)OC(=O)NC#CC2=CC=CC=C2

DOS

IR

Vibrations