Geometry & MOs

Info

ID:	2998
PubChem CID:	9024
Reduced:	OC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	192.11503
ΔH_f, kcal/mol:	-94.93
Dipole, Da:	2.12
IP(EA), eV:	-9.32(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1-phenylpropan-2-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC(C)(C)CC1=CC=CC=C1

DOS

IR

Vibrations