Geometry & MOs

Info

ID:	292512
PubChem CID:	115001697
Reduced:	ON2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	216.172545
ΔH_f, kcal/mol:	-8.24
Dipole, Da:	2.15
IP(EA), eV:	-8.78(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-methylpentoxy)butanoate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(C1=O)NC3CCC3

DOS

IR

Vibrations