Geometry & MOs

Info

ID:	179767
PubChem CID:	76528013
Reduced:	PF4N5O11C20H26 (1)
Stoich.:	AB4C5D11E20F26 (1)
Weight, g/mol:	433.159727
ΔH_f, kcal/mol:	-654.13
Dipole, Da:	16.69
IP(EA), eV:	-9.44(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-[1-(4-methylphenyl)-3-phenylprop-2-enyl]-2-phenyl-1H-indole

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCC[N+]2=CN(C3C2C(=O)NC(N3)N)C4C(C(C(O4)COP(=O)(O)[O-])O)O)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations