Geometry & MOs

Info

ID:	413511
PubChem CID:	135086460
Reduced:	O2F5H7C9 (1)
Stoich.:	A2B5C7D9 (1)
Weight, g/mol:	380.159872
ΔH_f, kcal/mol:	-297.53
Dipole, Da:	2.92
IP(EA), eV:	-10.52(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hept-1-ynyl-2-[2-(2-phenylethynylsulfanyl)phenyl]benzene

Drug info:

PubChemData

Smile

C(C1=C(C(=C(C(=C1F)F)F)F)F)C(CO)O

DOS

IR

Vibrations