Geometry & MOs

Info

ID:	216866
PubChem CID:	85086898
Reduced:	O3C8H11 (2)
Stoich.:	A3B8C11 (2)
Weight, g/mol:	310.120509
ΔH_f, kcal/mol:	-270.48
Dipole, Da:	3.52
IP(EA), eV:	-9.84(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-(3-phenylprop-2-enoyl)phenoxy]acetate

Drug info:

PubChemData

Smile

CC1CC2(C3(C(=CC(=O)C(C3(C)C)O2)C)O)OC1OC(=O)C

DOS

IR

Vibrations