Geometry & MOs

Info

ID:	179612
PubChem CID:	76510962
Reduced:	NF3O5C10H16 (1)
Stoich.:	AB3C5D10E16 (1)
Weight, g/mol:	432.151415
ΔH_f, kcal/mol:	-399.28
Dipole, Da:	3.09
IP(EA), eV:	-10.48(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[3,5-bis(2-phenylethynyl)phenyl]ethynyl]phenyl]prop-2-yn-1-ol

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)CO)O)O)NC(=O)CC(F)(F)F

DOS

IR

Vibrations