Geometry & MOs

Info

ID:	216749
PubChem CID:	85086721
Reduced:	NO4C17H17 (1)
Stoich.:	AB4C17D17 (1)
Weight, g/mol:	298.07524
ΔH_f, kcal/mol:	-145.66
Dipole, Da:	3.37
IP(EA), eV:	-9.31(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-bromobut-3-enyl)cyclopentyl]ethynyl-trimethylsilane

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2=NC3=CC=CC=C3C=C2C1OC(=O)C

DOS

IR

Vibrations