Geometry & MOs

Info

ID:	2468
PubChem CID:	7633
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	206.13068
ΔH_f, kcal/mol:	-100.0
Dipole, Da:	1.58
IP(EA), eV:	-9.36(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-4-phenylbutan-2-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC(C)(C)CCC1=CC=CC=C1

DOS

IR

Vibrations