Geometry & MOs

Info

ID:	48522
PubChem CID:	11077348
Reduced:	NO3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	298.07524
ΔH_f, kcal/mol:	-43.41
Dipole, Da:	6.05
IP(EA), eV:	-8.73(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-bromopropyl)-3-methylidenecyclopropyl]but-1-ynyl-trimethylsilane

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](ON([C@H]1C(=O)C2=CC=CC=C2)C3=CC=CC=C3)CO

DOS

IR

Vibrations