Geometry & MOs

Info

ID:	385331
PubChem CID:	134978799
Reduced:	NO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	216.204931
ΔH_f, kcal/mol:	-107.09
Dipole, Da:	1.45
IP(EA), eV:	-9.31(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(1R,5R)-5-methylcyclohex-3-en-1-yl]-9-borabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

CC(=O)OC[C@H]1[C@@H](C(=NO1)C2=CC=CC=C2)O

DOS

IR

Vibrations