Geometry & MOs

Info

ID:	377105
PubChem CID:	134223143
Reduced:	NO2C25H31 (1)
Stoich.:	AB2C25D31 (1)
Weight, g/mol:	546.231871
ΔH_f, kcal/mol:	-45.31
Dipole, Da:	1.49
IP(EA), eV:	-8.77(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-cyano-2-fluorophenyl)phenyl] 4-[4-(6-ethenoxyhexyl)phenyl]-3-methanimidoylbenzoate

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC3=C(C=C2)C(=C(C=C3)OC(=O)C=C)C=N

DOS

IR

Vibrations