Geometry & MOs

Info

ID:	218005
PubChem CID:	85088726
Reduced:	Cl2O2N3C21H23 (1)
Stoich.:	A2B2C3D21E23 (1)
Weight, g/mol:	420.172385
ΔH_f, kcal/mol:	-21.92
Dipole, Da:	3.23
IP(EA), eV:	-9.01(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[14-(2,3,4,5,6-pentafluorophenyl)-13-oxabicyclo[10.2.0]tetradecan-1-yl] acetate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Cl)Cl)CNCCCNC2=CC(=O)C3C=CC=CC3=N2

DOS

IR

Vibrations