Geometry & MOs

Info

ID:	411325
PubChem CID:	135084148
Reduced:	NOC9H19 (1)
Stoich.:	ABC9D19 (1)
Weight, g/mol:	212.173631
ΔH_f, kcal/mol:	-39.03
Dipole, Da:	0.66
IP(EA), eV:	-9.22(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2-methylphenyl)-9-borabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

CCCC/C(=N\OC)/C(C)C

DOS

IR

Vibrations