Geometry & MOs

Info

ID:	217250
PubChem CID:	85087503
Reduced:	O3C22H34 (1)
Stoich.:	A3B22C34 (1)
Weight, g/mol:	346.250795
ΔH_f, kcal/mol:	-189.52
Dipole, Da:	3.76
IP(EA), eV:	-9.73(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-propan-2-ylcyclohexyl) 2-[(2-methylpropan-2-yl)oxy]-2-phenylacetate

Drug info:

PubChemData

Smile

CCCC1CC2C3CCC(=O)C3(CCC2C4(C1(CC(=O)CC4)O)C)C

DOS

IR

Vibrations