Geometry & MOs

Info

ID:	9648
PubChem CID:	91849
Reduced:	OC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	192.11503
ΔH_f, kcal/mol:	-85.2
Dipole, Da:	1.63
IP(EA), eV:	-9.6(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-methylbutanoate

Drug info:

PubChemData

Smile

CCC(C)C(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations