Geometry & MOs

Info

ID:	409059
PubChem CID:	135081833
Reduced:	BC19H35 (1)
Stoich.:	AB19C35 (1)
Weight, g/mol:	220.236231
ΔH_f, kcal/mol:	-86.62
Dipole, Da:	0.09
IP(EA), eV:	-9.29(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-1-(2,3-dimethylbutan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b]borinine

Drug info:

PubChemData

Smile

B1(C[C@@H]2CCCC[C@@H]2[C@@H]3[C@@H]1CCCC3)C(C)(C)C(C)C

DOS

IR

Vibrations