Geometry & MOs

Info

ID:	410439
PubChem CID:	135083236
Reduced:	BO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	94.095381
ΔH_f, kcal/mol:	-156.24
Dipole, Da:	1.17
IP(EA), eV:	-8.22(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dimethyl-2,5-dihydroborole

Drug info:

PubChemData

Smile

B(CC1=CC=C(CC1)C(C)C)(OC)OC

DOS

IR

Vibrations