Geometry & MOs

Info

ID:	400766
PubChem CID:	135049026
Reduced:	BC22H32 (1)
Stoich.:	AB22C32 (1)
Weight, g/mol:	272.009764
ΔH_f, kcal/mol:	32.14
Dipole, Da:	1.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751013
Charge, e:	0

Chem-info

IUPAC name:

dichloro-[(1R,6S)-6-chloro-3-phenylcyclohex-3-en-1-yl]borane

Drug info:

PubChemData

Smile

[B]([C@H]1CCCC[C@@H]1C2=CC=CC=C2)[C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C

DOS

IR

Vibrations