Geometry & MOs

Info

ID:	158915
PubChem CID:	57244200
Reduced:	N2O3C27H38 (1)
Stoich.:	A2B3C27D38 (1)
Weight, g/mol:	254.22458
ΔH_f, kcal/mol:	-132.21
Dipole, Da:	3.34
IP(EA), eV:	-8.79(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-octyloxiran-2-yl)cyclohexan-1-ol

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](CCN(C1C)C[C@H](C(C)C)NC(=O)CCC2=CC(=CC=C2)O)C3=CC(=CC=C3)O

DOS

IR

Vibrations