Geometry & MOs

Info

ID:	392517
PubChem CID:	135017006
Reduced:	F2N2O9C14H18 (1)
Stoich.:	A2B2C9D14E18 (1)
Weight, g/mol:	307.1361
ΔH_f, kcal/mol:	-479.07
Dipole, Da:	2.97
IP(EA), eV:	-10.22(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-phenyl-2-(2-phenylethynyl)indole

Drug info:

PubChemData

Smile

C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[C@H]3C([C@@H]([C@H](O3)CO)O)(F)F)O)O

DOS

IR

Vibrations