Geometry & MOs

Info

ID:	439239
PubChem CID:	135229006
Reduced:	NO2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	355.231143
ΔH_f, kcal/mol:	-71.11
Dipole, Da:	2.16
IP(EA), eV:	-9.05(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-6-fluorophenyl]-7-methyl-5-propan-2-ylideneoct-6-en-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C2C=C(C=CC2=C1)OCC3=CC(=CC=C3)NOC

DOS

IR

Vibrations