Geometry & MOs

Info

ID:	436758
PubChem CID:	135211209
Reduced:	O7C23H24 (1)
Stoich.:	A7B23C24 (1)
Weight, g/mol:	357.189278
ΔH_f, kcal/mol:	-238.13
Dipole, Da:	3.33
IP(EA), eV:	-8.7(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-4-[2-ethenyl-5-ethyl-4-(2-fluoroethynyl)phenyl]-3-methylbut-2-en-2-yl]-3-methylbenzonitrile

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)OCC([C@@H](CO)O)O)C(=O)C3=C1OC4=C3C=CC(=C4)OC)C

DOS

IR

Vibrations