Geometry & MOs

Info

ID:	410042
PubChem CID:	135082831
Reduced:	OC9H16 (1)
Stoich.:	AB9C16 (1)
Weight, g/mol:	136.142331
ΔH_f, kcal/mol:	-74.78
Dipole, Da:	3.78
IP(EA), eV:	-9.74(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-3-methyl-2,5-dihydroborole

Drug info:

PubChemData

Smile

C[C@@H]1CCC(=O)[C@H]([C@H]1C)C

DOS

IR

Vibrations