Geometry & MOs

Info

ID:	319984
PubChem CID:	126657732
Reduced:	IPN2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	505.182
ΔH_f, kcal/mol:	87.26
Dipole, Da:	1.62
IP(EA), eV:	-8.81(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[(Z)-2-(2-chloro-4-fluorophenyl)-2-cyclobutyl-1-(3-morpholin-4-ylcyclopenta-2,4-dien-1-yl)ethenyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CC(C1)C#CC2=CC=C(C=C2)C3=CN(N=C3)PI

DOS

IR

Vibrations