Geometry & MOs

Info

ID:	2894
PubChem CID:	8792
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	206.13068
ΔH_f, kcal/mol:	-94.45
Dipole, Da:	1.88
IP(EA), eV:	-9.44(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenylethyl 3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)CC(=O)OCCC1=CC=CC=C1

DOS

IR

Vibrations