Geometry & MOs

Info

ID:	401110
PubChem CID:	135050197
Reduced:	O3C17H22 (1)
Stoich.:	A3B17C22 (1)
Weight, g/mol:	352.24023
ΔH_f, kcal/mol:	-126.44
Dipole, Da:	4.72
IP(EA), eV:	-9.95(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-phenylethyl] 2,4,6-tri(propan-2-yl)benzoate

Drug info:

PubChemData

Smile

CCC(=O)[C@H](C1CCCCC1)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations