Geometry & MOs

Info

ID:	144614
PubChem CID:	53388076
Reduced:	NOH6C9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	307.1361
ΔH_f, kcal/mol:	126.78
Dipole, Da:	7.63
IP(EA), eV:	-9.13(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[2-(2-phenylethynyl)phenyl]indole

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)[N+](=O)[O-])N3C=CC=C3

DOS

IR

Vibrations