Geometry & MOs

Info

ID:	441920
PubChem CID:	135246719
Reduced:	OF2N3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	406.189257
ΔH_f, kcal/mol:	-71.47
Dipole, Da:	4.73
IP(EA), eV:	-9.4(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(ethylideneamino)-3-[(E)-2-[3-(2-methoxyphenyl)pyridin-2-yl]oxyethenyl]cyclohex-2-en-1-yl] acetate

Drug info:

PubChemData

Smile

CCCC(C1=NC=C(C=C1)CC2=C(C=CC=N2)C3=C(N=CC=C3)OC)(F)F

DOS

IR

Vibrations