Geometry & MOs

Info

ID:	442004
PubChem CID:	135247747
Reduced:	FO4C39H49 (1)
Stoich.:	AB4C39D49 (1)
Weight, g/mol:	414.204239
ΔH_f, kcal/mol:	-185.04
Dipole, Da:	3.24
IP(EA), eV:	-8.84(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-formyloxyethoxy)-2-(4-pentylphenyl)phenoxy]ethyl acetate

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=C(C=C(C=C2)C3=CC=C(C=C3)C4=CC(=CC(=C4)OCCC(=C)CO)OCCC(=C)CO)F

DOS

IR

Vibrations