Geometry & MOs

Info

ID:	50594
PubChem CID:	12013146
Reduced:	ON3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	219.104799
ΔH_f, kcal/mol:	32.48
Dipole, Da:	1.78
IP(EA), eV:	-8.52(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethenyl-1,3-bis(prop-2-ynyl)indole

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C2=NN3C=CC=C(C3=N2)C

DOS

IR

Vibrations