Geometry & MOs

Info

ID:	403227
PubChem CID:	135059272
Reduced:	N2S2O7C24H26 (1)
Stoich.:	A2B2C7D24E26 (1)
Weight, g/mol:	221.120449
ΔH_f, kcal/mol:	-157.17
Dipole, Da:	3.03
IP(EA), eV:	-8.55(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(cyclohexen-1-yl)ethynyl]-1H-indole

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=C(C=C(C=C1)N(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)OOC

DOS

IR

Vibrations