Geometry & MOs

Info

ID:	179851
PubChem CID:	76542299
Reduced:	FN4O5C22H30 (1)
Stoich.:	AB4C5D22E30 (1)
Weight, g/mol:	574.362237
ΔH_f, kcal/mol:	-190.83
Dipole, Da:	11.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769746
Charge, e:	0

Chem-info

IUPAC name:

1,4-bis[2-(4-fluorophenyl)ethenyl]-2,5-dioctoxybenzene

Drug info:

PubChemData

Smile

CC(C)(C)N(CC1CN(CCO1)CC(CO)C2=C3C(=NC=C2F)C=CC(=N3)OC)C(=O)[O-]

DOS

IR

Vibrations