Geometry & MOs

Info

ID:	10933
PubChem CID:	109186
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	206.13068
ΔH_f, kcal/mol:	-94.52
Dipole, Da:	2.18
IP(EA), eV:	-9.59(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-1-phenylbutyl) acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations