Geometry & MOs

Info

ID:	298803
PubChem CID:	117657034
Reduced:	O2H13C15 (2)
Stoich.:	A2B13C15 (2)
Weight, g/mol:	514.139194
ΔH_f, kcal/mol:	-43.79
Dipole, Da:	1.74
IP(EA), eV:	-8.56(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-[4-[2-[2-(2-methylprop-2-enoyloxy)phenyl]ethynyl]-3-(trifluoromethyl)phenyl]ethynyl]phenyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC(=O)C(=C)C)/C=C/C2=CC=C(C=C2)/C=C/C3=CC=C(C=C3)OC(=O)C=C

DOS

IR

Vibrations