Geometry & MOs

Info

ID:	28195
PubChem CID:	826166
Reduced:	O3C16H24 (1)
Stoich.:	A3B16C24 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-120.28
Dipole, Da:	2.37
IP(EA), eV:	-8.52(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3S)-3-methylcyclohexyl] N-phenylcarbamate

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]1C2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations