Geometry & MOs

Info

ID:	427671
PubChem CID:	135161091
Reduced:	FN8C20H21 (1)
Stoich.:	AB8C20D21 (1)
Weight, g/mol:	344.142387
ΔH_f, kcal/mol:	108.37
Dipole, Da:	4.55
IP(EA), eV:	-8.6(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3Z,6E,8Z)-8-fluoro-5-methylidene-9-(2-methylprop-2-enoyloxy)undeca-1,3,6,8,10-pentaen-2-yl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC1(C(=C)NC2=NC(=NC(=C21)N)C3=NC(=C)N(N3)CC4=CC=CC=C4F)C(=C)N

DOS

IR

Vibrations