Geometry & MOs

Info

ID:	337837
PubChem CID:	127258460
Reduced:	NO2C10H17 (1)
Stoich.:	AB2C10D17 (1)
Weight, g/mol:	418.344695
ΔH_f, kcal/mol:	-102.39
Dipole, Da:	1.97
IP(EA), eV:	-8.5(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-pentadecylphenoxy)ethyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC/C=C/1\CCCN1

DOS

IR

Vibrations