Geometry & MOs

Info

ID:	255940
PubChem CID:	103135775
Reduced:	O2C17H22 (1)
Stoich.:	A2B17C22 (1)
Weight, g/mol:	238.19328
ΔH_f, kcal/mol:	-87.98
Dipole, Da:	4.69
IP(EA), eV:	-9.47(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyloxolan-2-yl)methyl]-4-propylcyclohexan-1-one

Drug info:

PubChemData

Smile

CC1CCC(O1)CC2CCCC3=CC=CC=C3C2=O

DOS

IR

Vibrations