Geometry & MOs

Info

ID:	392144
PubChem CID:	135013293
Reduced:	O4C17H24 (1)
Stoich.:	A4B17C24 (1)
Weight, g/mol:	208.125201
ΔH_f, kcal/mol:	-105.77
Dipole, Da:	1.78
IP(EA), eV:	-9.45(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(3-methylidenepent-1-ynyl)-1H-indene

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H]1C2C3CCC4C2O[C@@H]5C4C3[C@H](O1)CC5

DOS

IR

Vibrations