Geometry & MOs

Info

ID:	410572
PubChem CID:	135083372
Reduced:	BC13H21 (1)
Stoich.:	AB13C21 (1)
Weight, g/mol:	208.142331
ΔH_f, kcal/mol:	-13.31
Dipole, Da:	0.76
IP(EA), eV:	-8.46(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,7S)-4-phenyl-4-boratricyclo[5.2.1.02,6]dec-2(6)-ene

Drug info:

PubChemData

Smile

B1(CC2=C(C1)[C@H]3CC[C@@H]2C3)C(C)(C)C

DOS

IR

Vibrations