Geometry & MOs

Info

ID:	217293
PubChem CID:	85087564
Reduced:	ClNO4C18H20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	350.115424
ΔH_f, kcal/mol:	-109.69
Dipole, Da:	5.81
IP(EA), eV:	-8.76(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-(4-acetyloxyphenoxy)pent-3-en-1-ynyl]phenyl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(=CC=C(C1=CC(=C(C=C1)OC)OC)Cl)C#N

DOS

IR

Vibrations