Geometry & MOs

Info

ID:	405005
PubChem CID:	135072118
Reduced:	O3C16H22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	297.209264
ΔH_f, kcal/mol:	-126.22
Dipole, Da:	1.94
IP(EA), eV:	-8.84(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethyl-4-methylindol-2-yl)-2-methyloct-3-yn-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)/C=C(/C)\CCCC1=CC(=CC=C1)OC

DOS

IR

Vibrations