Geometry & MOs

Info

ID:	292454
PubChem CID:	115001448
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-126.31
Dipole, Da:	1.36
IP(EA), eV:	-9.19(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(3-methylphenoxy)butanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)COC1=CC=CC=C1C

DOS

IR

Vibrations