Geometry & MOs

Info

ID:	217405
PubChem CID:	85087767
Reduced:	PO5C18H33 (1)
Stoich.:	AB5C18D33 (1)
Weight, g/mol:	360.172545
ΔH_f, kcal/mol:	-323.66
Dipole, Da:	3.34
IP(EA), eV:	-9.51(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-(2-naphthalen-2-ylethenyl)phenoxy]butanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1CC(CCC1C(=C)C)C)P(=O)(OCC)OCC

DOS

IR

Vibrations