Geometry & MOs

Info

ID:	144615
PubChem CID:	53388077
Reduced:	NH17C23 (1)
Stoich.:	AB17C23 (1)
Weight, g/mol:	321.15175
ΔH_f, kcal/mol:	138.67
Dipole, Da:	1.28
IP(EA), eV:	-8.09(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[2-[2-(4-methylphenyl)ethynyl]phenyl]indole

Drug info:

PubChemData

Smile

CC1=CN(C2=CC=CC=C12)C3=CC=CC=C3C#CC4=CC=CC=C4

DOS

IR

Vibrations