Geometry & MOs

Info

ID:	399466
PubChem CID:	135040468
Reduced:	ON4H10C13 (1)
Stoich.:	AB4C10D13 (1)
Weight, g/mol:	209.120449
ΔH_f, kcal/mol:	39.92
Dipole, Da:	4.74
IP(EA), eV:	-9.09(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-hex-1-en-3-ynyl]-1-methylindole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N=C(N2)C3=C(C=NC=C3)N

DOS

IR

Vibrations