Geometry & MOs

Info

ID:	50447
PubChem CID:	12012985
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	-94.43
Dipole, Da:	1.54
IP(EA), eV:	-9.91(1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,3S)-3-methyl-2-phenyloxiran-2-yl]cycloheptan-1-ol

Drug info:

PubChemData

Smile

C[C@H]1[C@](O1)(C)C2(CCCCC2)O

DOS

IR

Vibrations