Geometry & MOs

Info

ID:	446639
PubChem CID:	135276580
Reduced:	PN2O5C21H43 (1)
Stoich.:	AB2C5D21E43 (1)
Weight, g/mol:	459.148201
ΔH_f, kcal/mol:	-343.15
Dipole, Da:	1.03
IP(EA), eV:	-8.81(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(4-cyanophenyl)ethynyl]-2-fluorophenyl] 4-[2-(2-methoxyethoxy)ethoxy]benzoate

Drug info:

PubChemData

Smile

CC(C)(C)CP(=O)(NCCOC(=O)C(C)(C)CCN1CCOCC1)OC(C)(C)C

DOS

IR

Vibrations