Geometry & MOs

Info

ID:	407615
PubChem CID:	135080364
Reduced:	O2C11H12 (1)
Stoich.:	A2B11C12 (1)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	-56.42
Dipole, Da:	3.29
IP(EA), eV:	-9.51(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-phenylmethoxycyclohexyl)propan-2-one

Drug info:

PubChemData

Smile

C1COCC(=O)[C@H]1C2=CC=CC=C2

DOS

IR

Vibrations