Geometry & MOs

Info

ID:	327386
PubChem CID:	126689764
Reduced:	OF4N7H27C29 (1)
Stoich.:	AB4C7D27E29 (1)
Weight, g/mol:	266.13068
ΔH_f, kcal/mol:	-83.85
Dipole, Da:	6.84
IP(EA), eV:	-9.5(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2E,4Z)-hexa-2,4-dien-2-yl]oxy-4-phenoxybenzene

Drug info:

PubChemData

Smile

C1CC1CC[C@@](C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C(=N)N)C(F)(F)F)(C5=CN=CC=C5)N

DOS

IR

Vibrations