Geometry & MOs

Info

ID:	405206
PubChem CID:	135073037
Reduced:	NOC21H21 (1)
Stoich.:	ABC21D21 (1)
Weight, g/mol:	255.162314
ΔH_f, kcal/mol:	51.85
Dipole, Da:	2.06
IP(EA), eV:	-8.42(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethylindol-2-yl)-2-methylhex-3-yn-1-ol

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C=C1C(C(C)C#CC3=CC=CC=C3)O

DOS

IR

Vibrations